 Entering Gaussian System, Link 0=g16
 Input=10_L-serine_conformer02_STD_LCPBE_augccpVDZ.in
 Output=10_L-serine_conformer02_STD_LCPBE_augccpVDZ.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/Gau-13300.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/New_Molecules/Tuned_LCPBE/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=     13301.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                16-Aug-2021 
 ******************************************
 %NoSave
 %NProc=8
 Will use up to    8 processors via shared memory.
 %Mem=42GB
 %chk=10_L-serine_conformer02_STD_LCPBE_augccpVDZ
 ----------------------------------------------------------------------
 #P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight) 
 Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=036000000
 0,3/108=0360000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-1
 )
 ----------------------------------------------------------------------
 1/29=2,33=1,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=1001009,75=-5,107=360000000,108=360000000,116=-2,119=1000000000,120=1000000000,130=-1,131=-1/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=200,32=2,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Mon Aug 16 21:17:42 2021, MaxMem=  5637144576 cpu:               1.6 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 ONIOM results not found on unit 2.
 -----------------
 ROA calculations.
 -----------------
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 TstMul:  ICh=     0
 TstMul:  Mul=     1
 Structure from the checkpoint file:  "10_L-serine_conformer02_STD_LCPBE_augccpVDZ.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                -1.484901000000     -0.302102000000      0.506335000000
  C                                                -0.174290000000      0.470913000000      0.629509000000
  C                                                 0.994437000000     -0.392531000000      0.118480000000
  O                                                 1.968436000000      0.308886000000     -0.463036000000
  O                                                -1.787467000000     -0.569740000000     -0.856846000000
  N                                                -0.159010000000      1.757486000000     -0.072339000000
  O                                                 1.028452000000     -1.588853000000      0.241131000000
  H                                                 0.031855000000      0.652391000000      1.689135000000
  H                                                -1.427808000000     -1.222323000000      1.090638000000
  H                                                -2.303403000000      0.307977000000      0.891228000000
  H                                                 1.632660000000      1.234261000000     -0.497983000000
  H                                                -0.712360000000      1.685398000000     -0.921087000000
  H                                                -0.544717000000      2.501175000000      0.493903000000
  H                                                -1.250000000000     -1.321307000000     -1.135405000000
 Recover connectivity data from disk.
 After GenITR:
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 NAtoms=     14 NQM=       14 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          16          16          14          16           1           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  15.9949146  15.9949146  14.0030740  15.9949146   1.0078250   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           2           0           1           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   5.6000000   5.6000000   4.5500000   5.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.0440000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.4037610   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   8.0000000   8.0000000   7.0000000   8.0000000   1.0000000   1.0000000   1.0000000

  Atom        11          12          13          14
 IAtWgt=           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000
 No MM parameters found.
 Using perturbation frequencies:    0.088559
 Leave Link  101 at Mon Aug 16 21:17:42 2021, MaxMem=  5637144576 cpu:               1.7 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.484901   -0.302102    0.506335
      2          6           0       -0.174290    0.470913    0.629509
      3          6           0        0.994437   -0.392531    0.118480
      4          8           0        1.968436    0.308886   -0.463036
      5          8           0       -1.787467   -0.569740   -0.856846
      6          7           0       -0.159010    1.757486   -0.072339
      7          8           0        1.028452   -1.588853    0.241131
      8          1           0        0.031855    0.652391    1.689135
      9          1           0       -1.427808   -1.222323    1.090638
     10          1           0       -2.303403    0.307977    0.891228
     11          1           0        1.632660    1.234261   -0.497983
     12          1           0       -0.712360    1.685398   -0.921087
     13          1           0       -0.544717    2.501175    0.493903
     14          1           0       -1.250000   -1.321307   -1.135405
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.526573   0.000000
     3  C    2.511120   1.540328   0.000000
     4  O    3.638478   2.410639   1.333724   0.000000
     5  O    1.421773   2.427869   2.953245   3.877354   0.000000
     6  N    2.516894   1.465638   2.447330   2.603289   2.946745
     7  O    2.836019   2.416622   1.203074   2.231778   3.189599
     8  H    2.147236   1.094640   2.117872   2.915507   3.359398
     9  H    1.091548   2.156617   2.738780   4.036456   2.085165
    10  H    1.091002   2.151318   3.458844   4.481366   2.022953
    11  H    3.617769   2.262522   1.853054   0.985031   3.883358
    12  H    2.566030   2.041774   2.882992   3.048157   2.499126
    13  H    2.956766   2.068228   3.299011   3.469553   3.577635
    14  H    1.946604   2.735713   2.733560   3.669869   0.965049
                    6          7          8          9         10
     6  N    0.000000
     7  O    3.564592   0.000000
     8  H    2.088170   2.848350   0.000000
     9  H    3.441166   2.624732   2.450177   0.000000
    10  H    2.761876   3.888682   2.491728   1.774331   0.000000
    11  H    1.914424   2.980156   2.772117   4.233791   4.275570
    12  H    1.015759   3.886116   2.904173   3.607457   2.777263
    13  H    1.011174   4.389429   2.275745   3.873032   2.839183
    14  H    3.435016   2.675402   3.676501   2.235326   2.805613
                   11         12         13         14
    11  H    0.000000
    12  H    2.425213   0.000000
    13  H    2.707375   1.641887   0.000000
    14  H    3.904736   3.061905   4.214669   0.000000
 Stoichiometry    C3H7NO3
 Framework group  C1[X(C3H7NO3)]
 Deg. of freedom    36
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 7.88D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0       -1.484901   -0.302102    0.506335
      2          6           0       -0.174290    0.470913    0.629509
      3          6           0        0.994437   -0.392531    0.118480
      4          8           0        1.968436    0.308886   -0.463036
      5          8           0       -1.787467   -0.569740   -0.856846
      6          7           0       -0.159010    1.757486   -0.072339
      7          8           0        1.028452   -1.588853    0.241131
      8          1           0        0.031855    0.652391    1.689135
      9          1           0       -1.427808   -1.222323    1.090638
     10          1           0       -2.303403    0.307977    0.891228
     11          1           0        1.632660    1.234261   -0.497983
     12          1           0       -0.712360    1.685398   -0.921087
     13          1           0       -0.544717    2.501175    0.493903
     14          1           0       -1.250000   -1.321307   -1.135405
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           3.5618822           2.3721173           1.7326355
 Leave Link  202 at Mon Aug 16 21:17:43 2021, MaxMem=  5637144576 cpu:               0.2 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       8      9     10     11     12     13     14
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       6
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients=  7.0000000000D-04
     Exponent=  1.3570000000D+03 Coefficients=  5.3890000000D-03
     Exponent=  3.0930000000D+02 Coefficients=  2.7406000000D-02
     Exponent=  8.7730000000D+01 Coefficients=  1.0320700000D-01
     Exponent=  2.8560000000D+01 Coefficients=  2.7872300000D-01
     Exponent=  1.0210000000D+01 Coefficients=  4.4854000000D-01
     Exponent=  3.8380000000D+00 Coefficients=  2.7823800000D-01
     Exponent=  7.4660000000D-01 Coefficients=  1.5440000000D-02
     Exponent=  2.2480000000D-01 Coefficients= -2.8640000000D-03
 S 9 1.00
     Exponent=  9.0460000000D+03 Coefficients= -1.5300000000D-04
     Exponent=  1.3570000000D+03 Coefficients= -1.2080000000D-03
     Exponent=  3.0930000000D+02 Coefficients= -5.9920000000D-03
     Exponent=  8.7730000000D+01 Coefficients= -2.4544000000D-02
     Exponent=  2.8560000000D+01 Coefficients= -6.7459000000D-02
     Exponent=  1.0210000000D+01 Coefficients= -1.5807800000D-01
     Exponent=  3.8380000000D+00 Coefficients= -1.2183100000D-01
     Exponent=  7.4660000000D-01 Coefficients=  5.4900300000D-01
     Exponent=  2.2480000000D-01 Coefficients=  5.7881500000D-01
 S 1 1.00
     Exponent=  2.2480000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  6.1240000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.3550000000D+01 Coefficients=  3.9919000000D-02
     Exponent=  2.9170000000D+00 Coefficients=  2.1716900000D-01
     Exponent=  7.9730000000D-01 Coefficients=  5.1031900000D-01
     Exponent=  2.1850000000D-01 Coefficients=  4.6221400000D-01
 P 1 1.00
     Exponent=  2.1850000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  5.6110000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  8.1700000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  2.3000000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       4      5      7
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  21 primitive shells out of 252 were deleted.
 There are   238 symmetry adapted cartesian basis functions of A   symmetry.
 There are   224 symmetry adapted basis functions of A   symmetry.
   224 basis functions,   413 primitive gaussians,   238 cartesian basis functions
    28 alpha electrons       28 beta electrons
       nuclear repulsion energy       328.9801627738 Hartrees.
 IExCor=11009 DFT=T Ex=LC-PBE+HF Corr=PBE ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.360000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 DFx  wShort=  0.000000 wLong=  0.360000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   14 NActive=   14 NUniq=   14 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Mon Aug 16 21:17:45 2021, MaxMem=  5637144576 cpu:              17.8 elap:               2.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   224 RedAO= T EigKep=  1.69D-05  NBF=   224
 NBsUse=   224 1.00D-06 EigRej= -1.00D+00 NBFU=   224
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   238   238   238   238   238 MxSgAt=    14 MxSgA2=    14.
 Leave Link  302 at Mon Aug 16 21:17:46 2021, MaxMem=  5637144576 cpu:               3.3 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Mon Aug 16 21:17:46 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "10_L-serine_conformer02_STD_LCPBE_augccpVDZ.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=     0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000   -0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Mon Aug 16 21:17:47 2021, MaxMem=  5637144576 cpu:               2.6 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5637027028 LenY=  5636969943
 Requested convergence on RMS density matrix=1.00D-08 within 200 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -397.926502711889    
 DIIS: error= 2.76D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -397.926502711889     IErMin= 1 ErrMin= 2.76D-03
 ErrMax= 2.76D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.06D-02 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.72D-01 WtEn= 2.76D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.447 Goal=   None    Shift=    0.000
 GapD=    0.447 DampG=2.000 DampE=1.000 DampFc=2.0000 IDamp=-1.
 RMSDP=6.19D-03 MaxDP=1.76D-01              OVMax= 1.72D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  6.18D-03    CP:  9.94D-01
 E= -397.935351015354     Delta-E=       -0.008848303465 Rises=F Damp=F
 DIIS: error= 1.37D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -397.935351015354     IErMin= 2 ErrMin= 1.37D-03
 ErrMax= 1.37D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.57D-03 BMatP= 1.06D-02
 IDIUse=3 WtCom= 9.86D-01 WtEn= 1.37D-02
 Coeff-Com:  0.160D+00 0.840D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.157D+00 0.843D+00
 Gap=     0.401 Goal=   None    Shift=    0.000
 RMSDP=9.27D-04 MaxDP=3.56D-02 DE=-8.85D-03 OVMax= 9.07D-03

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  6.61D-04    CP:  9.93D-01  1.11D+00
 E= -397.935909204333     Delta-E=       -0.000558188980 Rises=F Damp=F
 DIIS: error= 1.19D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -397.935909204333     IErMin= 3 ErrMin= 1.19D-03
 ErrMax= 1.19D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.04D-03 BMatP= 1.57D-03
 IDIUse=3 WtCom= 9.88D-01 WtEn= 1.19D-02
 Coeff-Com: -0.439D-01 0.449D+00 0.595D+00
 Coeff-En:   0.000D+00 0.337D+00 0.663D+00
 Coeff:     -0.434D-01 0.448D+00 0.595D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.71D-04 MaxDP=1.18D-02 DE=-5.58D-04 OVMax= 4.80D-03

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  2.29D-04    CP:  9.92D-01  1.15D+00  1.06D+00
 E= -397.936639148470     Delta-E=       -0.000729944137 Rises=F Damp=F
 DIIS: error= 1.34D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -397.936639148470     IErMin= 4 ErrMin= 1.34D-04
 ErrMax= 1.34D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.21D-05 BMatP= 1.04D-03
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.34D-03
 Coeff-Com: -0.138D-01 0.592D-01 0.125D+00 0.829D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.138D-01 0.591D-01 0.125D+00 0.830D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.04D-04 MaxDP=5.23D-03 DE=-7.30D-04 OVMax= 1.28D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  4.64D-05    CP:  9.91D-01  1.16D+00  1.17D+00  1.12D+00
 E= -397.936650173042     Delta-E=       -0.000011024571 Rises=F Damp=F
 DIIS: error= 7.68D-05 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -397.936650173042     IErMin= 5 ErrMin= 7.68D-05
 ErrMax= 7.68D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.87D-06 BMatP= 1.21D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.877D-03-0.478D-01-0.394D-01 0.442D+00 0.644D+00
 Coeff:      0.877D-03-0.478D-01-0.394D-01 0.442D+00 0.644D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=4.04D-05 MaxDP=2.03D-03 DE=-1.10D-05 OVMax= 7.62D-04

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  1.83D-05    CP:  9.91D-01  1.16D+00  1.21D+00  1.19D+00  1.06D+00
 E= -397.936655250543     Delta-E=       -0.000005077501 Rises=F Damp=F
 DIIS: error= 1.52D-05 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -397.936655250543     IErMin= 6 ErrMin= 1.52D-05
 ErrMax= 1.52D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.15D-07 BMatP= 5.87D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.190D-02-0.229D-01-0.282D-01 0.688D-01 0.232D+00 0.749D+00
 Coeff:      0.190D-02-0.229D-01-0.282D-01 0.688D-01 0.232D+00 0.749D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=9.82D-06 MaxDP=5.53D-04 DE=-5.08D-06 OVMax= 1.99D-04

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  5.71D-06    CP:  9.91D-01  1.16D+00  1.22D+00  1.21D+00  1.12D+00
                    CP:  1.16D+00
 E= -397.936655618232     Delta-E=       -0.000000367689 Rises=F Damp=F
 DIIS: error= 4.88D-06 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -397.936655618232     IErMin= 7 ErrMin= 4.88D-06
 ErrMax= 4.88D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.62D-08 BMatP= 3.15D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.374D-03-0.614D-03-0.300D-02-0.329D-01-0.833D-02 0.204D+00
 Coeff-Com:  0.840D+00
 Coeff:      0.374D-03-0.614D-03-0.300D-02-0.329D-01-0.833D-02 0.204D+00
 Coeff:      0.840D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=2.95D-06 MaxDP=1.60D-04 DE=-3.68D-07 OVMax= 9.30D-05

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  1.73D-06    CP:  9.91D-01  1.16D+00  1.22D+00  1.21D+00  1.15D+00
                    CP:  1.24D+00  1.10D+00
 E= -397.936655661925     Delta-E=       -0.000000043692 Rises=F Damp=F
 DIIS: error= 2.24D-06 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -397.936655661925     IErMin= 8 ErrMin= 2.24D-06
 ErrMax= 2.24D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.60D-09 BMatP= 2.62D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.109D-03 0.255D-02 0.253D-02-0.189D-01-0.299D-01-0.263D-01
 Coeff-Com:  0.266D+00 0.804D+00
 Coeff:     -0.109D-03 0.255D-02 0.253D-02-0.189D-01-0.299D-01-0.263D-01
 Coeff:      0.266D+00 0.804D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.12D-06 MaxDP=4.17D-05 DE=-4.37D-08 OVMax= 3.66D-05

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  6.92D-07    CP:  9.91D-01  1.16D+00  1.22D+00  1.21D+00  1.16D+00
                    CP:  1.27D+00  1.17D+00  1.13D+00
 E= -397.936655667766     Delta-E=       -0.000000005841 Rises=F Damp=F
 DIIS: error= 5.70D-07 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -397.936655667766     IErMin= 9 ErrMin= 5.70D-07
 ErrMax= 5.70D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.37D-10 BMatP= 3.60D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.610D-04 0.747D-03 0.999D-03-0.212D-02-0.730D-02-0.297D-01
 Coeff-Com: -0.126D-01 0.220D+00 0.830D+00
 Coeff:     -0.610D-04 0.747D-03 0.999D-03-0.212D-02-0.730D-02-0.297D-01
 Coeff:     -0.126D-01 0.220D+00 0.830D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.79D-07 MaxDP=1.78D-05 DE=-5.84D-09 OVMax= 1.44D-05

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  1.93D-07    CP:  9.91D-01  1.16D+00  1.22D+00  1.20D+00  1.16D+00
                    CP:  1.27D+00  1.18D+00  1.23D+00  1.16D+00
 E= -397.936655668402     Delta-E=       -0.000000000636 Rises=F Damp=F
 DIIS: error= 1.89D-07 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -397.936655668402     IErMin=10 ErrMin= 1.89D-07
 ErrMax= 1.89D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.72D-11 BMatP= 3.37D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.247D-05-0.142D-03-0.707D-04 0.192D-02 0.227D-02-0.438D-02
 Coeff-Com: -0.348D-01-0.461D-01 0.185D+00 0.896D+00
 Coeff:     -0.247D-05-0.142D-03-0.707D-04 0.192D-02 0.227D-02-0.438D-02
 Coeff:     -0.348D-01-0.461D-01 0.185D+00 0.896D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.36D-07 MaxDP=6.00D-06 DE=-6.36D-10 OVMax= 6.11D-06

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  7.53D-08    CP:  9.91D-01  1.16D+00  1.22D+00  1.20D+00  1.16D+00
                    CP:  1.27D+00  1.18D+00  1.26D+00  1.26D+00  1.10D+00
 E= -397.936655668498     Delta-E=       -0.000000000096 Rises=F Damp=F
 DIIS: error= 6.84D-08 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -397.936655668498     IErMin=11 ErrMin= 6.84D-08
 ErrMax= 6.84D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.71D-12 BMatP= 3.72D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.528D-05-0.113D-03-0.124D-03 0.748D-03 0.143D-02 0.183D-02
 Coeff-Com: -0.801D-02-0.355D-01-0.406D-01 0.231D+00 0.849D+00
 Coeff:      0.528D-05-0.113D-03-0.124D-03 0.748D-03 0.143D-02 0.183D-02
 Coeff:     -0.801D-02-0.355D-01-0.406D-01 0.231D+00 0.849D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=3.43D-08 MaxDP=1.35D-06 DE=-9.64D-11 OVMax= 2.19D-06

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  2.35D-08    CP:  9.91D-01  1.16D+00  1.22D+00  1.20D+00  1.16D+00
                    CP:  1.27D+00  1.18D+00  1.26D+00  1.27D+00  1.18D+00
                    CP:  1.17D+00
 E= -397.936655668507     Delta-E=       -0.000000000009 Rises=F Damp=F
 DIIS: error= 2.65D-08 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -397.936655668507     IErMin=12 ErrMin= 2.65D-08
 ErrMax= 2.65D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 9.82D-13 BMatP= 4.71D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.273D-05-0.260D-04-0.425D-04 0.207D-04 0.253D-03 0.126D-02
 Coeff-Com:  0.137D-02-0.678D-02-0.374D-01-0.317D-01 0.313D+00 0.760D+00
 Coeff:      0.273D-05-0.260D-04-0.425D-04 0.207D-04 0.253D-03 0.126D-02
 Coeff:      0.137D-02-0.678D-02-0.374D-01-0.317D-01 0.313D+00 0.760D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=1.32D-08 MaxDP=4.70D-07 DE=-8.53D-12 OVMax= 8.51D-07

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  9.45D-09    CP:  9.91D-01  1.16D+00  1.22D+00  1.20D+00  1.16D+00
                    CP:  1.27D+00  1.18D+00  1.26D+00  1.27D+00  1.19D+00
                    CP:  1.24D+00  1.18D+00
 E= -397.936655668527     Delta-E=       -0.000000000020 Rises=F Damp=F
 DIIS: error= 1.38D-08 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -397.936655668527     IErMin=13 ErrMin= 1.38D-08
 ErrMax= 1.38D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.23D-13 BMatP= 9.82D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.306D-06 0.147D-04 0.116D-04-0.137D-03-0.192D-03 0.553D-04
 Coeff-Com:  0.184D-02 0.461D-02-0.296D-02-0.505D-01-0.770D-01 0.191D+00
 Coeff-Com:  0.933D+00
 Coeff:     -0.306D-06 0.147D-04 0.116D-04-0.137D-03-0.192D-03 0.553D-04
 Coeff:      0.184D-02 0.461D-02-0.296D-02-0.505D-01-0.770D-01 0.191D+00
 Coeff:      0.933D+00
 Gap=     0.398 Goal=   None    Shift=    0.000
 RMSDP=8.83D-09 MaxDP=4.62D-07 DE=-1.99D-11 OVMax= 4.87D-07

 SCF Done:  E(RLC-PBE+HF-PBE) =  -397.936655669     A.U. after   13 cycles
            NFock= 13  Conv=0.88D-08     -V/T= 2.0052
 KE= 3.958706423974D+02 PE=-1.592289440915D+03 EE= 4.695019800750D+02
 Leave Link  502 at Mon Aug 16 21:19:40 2021, MaxMem=  5637144576 cpu:             896.9 elap:             112.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   224
 NBasis=   224 NAE=    28 NBE=    28 NFC=     0 NFV=     0
 NROrb=    224 NOA=    28 NOB=    28 NVA=   196 NVB=   196

 **** Warning!!: The largest alpha MO coefficient is  0.47564152D+02

 Leave Link  801 at Mon Aug 16 21:19:40 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         4341 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.088559
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          14
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 9.15D-14 8.33D-09 XBig12= 1.00D+00 2.89D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 9.15D-14 8.33D-09 XBig12= 1.79D-01 8.09D-02.
     11 vectors produced by pass  2 Test12= 9.15D-14 8.33D-09 XBig12= 2.62D-02 4.24D-02.
     11 vectors produced by pass  3 Test12= 9.15D-14 8.33D-09 XBig12= 2.15D-03 1.21D-02.
     11 vectors produced by pass  4 Test12= 9.15D-14 8.33D-09 XBig12= 1.19D-04 2.53D-03.
     11 vectors produced by pass  5 Test12= 9.15D-14 8.33D-09 XBig12= 4.12D-06 3.12D-04.
     11 vectors produced by pass  6 Test12= 9.15D-14 8.33D-09 XBig12= 1.58D-07 4.26D-05.
     11 vectors produced by pass  7 Test12= 9.15D-14 8.33D-09 XBig12= 4.37D-09 8.33D-06.
     11 vectors produced by pass  8 Test12= 9.15D-14 8.33D-09 XBig12= 1.01D-10 1.09D-06.
      9 vectors produced by pass  9 Test12= 9.15D-14 8.33D-09 XBig12= 1.67D-12 1.33D-07.
      3 vectors produced by pass 10 Test12= 9.15D-14 8.33D-09 XBig12= 2.52D-14 1.74D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 8.88D-15
 Solved reduced A of dimension   111 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.088559:
                1             2             3 
      1  0.613465D+02
      2  0.345797D+00  0.647669D+02
      3 -0.300595D+01 -0.116567D+01  0.516261D+02
 Isotropic polarizability for W=    0.088559       59.25 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.088559:
                 1             2             3 
      1  -0.146888D+02 -0.603304D+01 -0.177579D+02
      2   0.984075D+01  0.131318D+02 -0.155277D+01
      3   0.484806D+01 -0.709879D+01  0.193106D+02
      4   0.143960D+02 -0.288386D+01 -0.926113D+01
      5   0.138708D+01 -0.103514D+02 -0.289010D+02
      6  -0.444747D+01  0.137463D+02  0.102550D+02
 Dipole-magnetic dipole polarizability for W=    0.088559:
                 1             2             3 
      1   0.170749D+01  0.778485D+01 -0.536685D+01
      2  -0.129386D+02 -0.433538D+01 -0.134275D+02
      3   0.102499D+02 -0.187011D+01  0.297184D+01
 DQ contribution to OR G for W=    0.088559:
                 1             2             3 
      1  -0.109029D+01  0.152990D+02 -0.173537D+02
      2  -0.191449D+02 -0.481366D+01 -0.337491D+02
      3   0.204291D+02  0.127246D+02  0.590394D+01
 Optical Rotation G' tensor for W=    0.088559:
                 1             2             3 
      1  -0.954341D+00  0.807711D+00 -0.836356D+00
      2   0.807711D+00  0.113625D+01  0.119636D+01
      3  -0.836356D+00  0.119636D+01  0.162040D+00
 OR G Eigenvalues:    -1.9598     0.3457     1.9581  Iso=    -0.1146
 Eigenvectors:
   (1)   0.754210  -0.398441   0.521931
   (2)  -0.651222  -0.352044   0.672291
   (3)   0.084125   0.846941   0.524989
 w=    0.088559 a.u., Optical Rotation Beta=     -0.1146 au.
 Molar Mass =    105.0932 grams/mole, [Alpha] ( 5145.0 A) =      -55.32 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=   25200 ScalPx= 5.51D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 1.71D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 1.52D-14 2.78D-09 XBig12= 1.00D+00 3.48D-01.
     30 vectors produced by pass  1 Test12= 1.52D-14 2.78D-09 XBig12= 2.29D-02 3.69D-02.
     30 vectors produced by pass  2 Test12= 1.52D-14 2.78D-09 XBig12= 5.58D-04 3.78D-03.
     30 vectors produced by pass  3 Test12= 1.52D-14 2.78D-09 XBig12= 8.89D-06 5.82D-04.
     30 vectors produced by pass  4 Test12= 1.52D-14 2.78D-09 XBig12= 1.03D-07 4.15D-05.
     30 vectors produced by pass  5 Test12= 1.52D-14 2.78D-09 XBig12= 1.14D-09 4.01D-06.
     30 vectors produced by pass  6 Test12= 1.52D-14 2.78D-09 XBig12= 9.37D-12 2.76D-07.
     30 vectors produced by pass  7 Test12= 1.52D-14 2.78D-09 XBig12= 6.78D-14 2.48D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 1.33D-15
 Solved reduced A of dimension   240 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.44D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=   25200 ScalPx= 2.44D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=   25200 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 1.98D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.613465D+02  0.345797D+00 -0.300595D+01
      2   0.345797D+00  0.647669D+02 -0.116567D+01
      3  -0.300595D+01 -0.116567D+01  0.516261D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.170749D+01  0.778485D+01 -0.536685D+01
      2  -0.129386D+02 -0.433538D+01 -0.134275D+02
      3   0.102499D+02 -0.187011D+01  0.297184D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.146888D+02 -0.603304D+01 -0.177579D+02
      2   0.984075D+01  0.131318D+02 -0.155277D+01
      3   0.484806D+01 -0.709879D+01  0.193106D+02
      4   0.143960D+02 -0.288386D+01 -0.926113D+01
      5   0.138708D+01 -0.103514D+02 -0.289010D+02
      6  -0.444747D+01  0.137463D+02  0.102550D+02
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.270582D+00 -0.346358D+01 -0.102455D+01 -0.414497D+01  0.114237D+01
      2  -0.346358D+01 -0.893612D-01  0.154702D+01  0.114237D+01  0.148037D+01
      3  -0.102455D+01  0.154702D+01  0.102030D+01  0.136250D+01 -0.309171D+01
                 6             7             8             9            10 
      1   0.136250D+01 -0.147758D+01  0.141801D+01  0.256522D+01 -0.126907D+00
      2  -0.309171D+01  0.141801D+01 -0.259659D+01  0.219850D+01  0.359418D+01
      3   0.181673D+01  0.256522D+01  0.219850D+01  0.108737D+01  0.181588D+00
                11            12            13            14            15 
      1   0.359418D+01  0.181588D+00  0.288979D+01 -0.725145D+00 -0.670487D+00
      2   0.260864D+00 -0.980331D+00 -0.725145D+00 -0.201079D+01  0.129882D+01
      3  -0.980331D+00 -0.140171D+01 -0.670487D+00  0.129882D+01 -0.109557D+01
                16            17            18            19            20 
      1   0.905576D+00 -0.273649D-01 -0.115016D+01  0.126748D+01 -0.222767D+01
      2  -0.273649D-01  0.114283D+01 -0.180220D+01 -0.222767D+01  0.293428D+00
      3  -0.115016D+01 -0.180220D+01 -0.551001D+01  0.280460D+00  0.697499D+00
                21            22            23            24            25 
      1   0.280460D+00 -0.795650D+00 -0.180752D+00  0.818361D+00 -0.848796D-01
      2   0.697499D+00 -0.180752D+00  0.630171D+01 -0.611436D+00  0.103267D+01
      3   0.486849D+00  0.818361D+00 -0.611436D+00  0.385298D+00  0.209602D+00
                26            27            28            29            30 
      1   0.103267D+01  0.209602D+00  0.711054D+01  0.109361D+01 -0.161486D+01
      2  -0.122504D+01  0.274746D+00  0.109361D+01  0.181738D+01 -0.351161D+00
      3   0.274746D+00  0.338304D+00 -0.161486D+01 -0.351161D+00  0.133431D+01
                31            32            33            34            35 
      1  -0.199892D+01  0.324764D+01  0.282942D+00 -0.154874D+01 -0.440241D+00
      2   0.324764D+01 -0.229500D+01 -0.499883D+00 -0.440241D+00  0.803233D-01
      3   0.282942D+00 -0.499883D+00  0.921555D-01  0.206907D+01  0.875924D+00
                36            37            38            39            40 
      1   0.206907D+01 -0.324670D+01  0.284758D+00 -0.146897D+01  0.180441D+01
      2   0.875924D+00  0.284758D+00 -0.184206D+01 -0.960643D+00 -0.155728D+01
      3  -0.238176D+01 -0.146897D+01 -0.960643D+00 -0.190044D+01 -0.862214D+00
                41            42            43            44            45 
      1  -0.155728D+01 -0.862214D+00 -0.134872D+01 -0.151369D+01 -0.285345D+01
      2   0.179527D+01  0.397707D+00 -0.151369D+01  0.171653D+00 -0.705109D+00
      3   0.397707D+00  0.134380D+01 -0.285345D+01 -0.705109D+00 -0.354238D+01
                46            47            48            49            50 
      1   0.103115D+01 -0.886511D+00  0.435193D+00 -0.571968D+00  0.257197D+01
      2  -0.886511D+00  0.293230D+01  0.477420D+00  0.257197D+01  0.230856D+01
      3   0.435193D+00  0.477420D+00  0.247203D+01  0.558883D+00 -0.241505D+01
                51            52            53            54            55 
      1   0.558883D+00  0.322324D+00  0.676849D+00  0.231600D+01  0.252516D+00
      2  -0.241505D+01  0.676849D+00 -0.276441D+01  0.104845D+00 -0.271119D+01
      3   0.217308D+00  0.231600D+01  0.104845D+00  0.126150D+01  0.333283D+00
                56            57            58            59            60 
      1  -0.271119D+01  0.333283D+00 -0.351388D+01  0.103184D+01 -0.132810D+00
      2   0.126184D+01 -0.540314D+00  0.103184D+01 -0.136102D+02  0.930485D+00
      3  -0.540314D+00 -0.213389D-01 -0.132810D+00  0.930485D+00 -0.248345D+01
                61            62            63            64            65 
      1   0.586136D+00 -0.428535D+00  0.311996D+00  0.607891D+00 -0.176845D+00
      2  -0.428535D+00  0.650647D+00 -0.304308D+01 -0.176845D+00  0.327686D+00
      3   0.311996D+00 -0.304308D+01  0.863341D+00  0.137658D+01  0.391586D+00
                66            67            68            69            70 
      1   0.137658D+01 -0.295328D+00  0.307039D+00  0.335672D+00  0.171878D+01
      2   0.391586D+00  0.307039D+00  0.143686D+01  0.126462D+01  0.143496D+00
      3   0.980565D+00  0.335672D+00  0.126462D+01  0.969615D+00  0.833446D+00
                71            72            73            74            75 
      1   0.143496D+00  0.833446D+00  0.176322D+00 -0.516261D+00  0.843897D+00
      2   0.173286D+01  0.155862D+01 -0.516261D+00 -0.355116D+00 -0.411044D-01
      3   0.155862D+01  0.847103D+01  0.843897D+00 -0.411044D-01  0.528588D-01
                76            77            78            79            80 
      1  -0.132035D+01 -0.115063D+01  0.398659D+00  0.110558D+01  0.395287D+00
      2  -0.115063D+01 -0.527209D+01  0.268741D+01  0.395287D+00  0.245483D+01
      3   0.398659D+00  0.268741D+01 -0.303266D+01 -0.673053D+00 -0.242954D+01
                81            82            83            84            85 
      1  -0.673053D+00 -0.588172D+01  0.186262D+01  0.195316D+01  0.334590D+01
      2  -0.242954D+01  0.186262D+01 -0.151902D+01 -0.754008D+00 -0.182945D+01
      3   0.329785D+01  0.195316D+01 -0.754008D+00 -0.195430D+01 -0.105774D+01
                86            87            88            89            90 
      1  -0.182945D+01 -0.105774D+01  0.192706D+01 -0.561478D+00 -0.195544D+01
      2   0.202803D+01  0.133671D+01 -0.561478D+00  0.106838D+01  0.651586D+00
      3   0.133671D+01  0.126421D+01 -0.195544D+01  0.651586D+00  0.163531D+01
                91            92            93            94            95 
      1  -0.436752D+00  0.181491D+01  0.202857D+00  0.420492D+01 -0.592583D+00
      2   0.181491D+01 -0.484568D+00 -0.176405D+00 -0.592583D+00  0.481398D+01
      3   0.202857D+00 -0.176405D+00  0.302714D+00 -0.860224D+00 -0.513948D+00
                96            97            98            99           100 
      1  -0.860224D+00 -0.583470D-01 -0.246391D+00  0.630986D+00 -0.122658D+01
      2  -0.513948D+00 -0.246391D+00 -0.442088D+00  0.537953D+00  0.581370D+00
      3   0.109806D+01  0.630986D+00  0.537953D+00 -0.809361D+00 -0.143661D+01
               101           102           103           104           105 
      1   0.581370D+00 -0.143661D+01  0.171059D+00 -0.618567D+00  0.116589D+00
      2  -0.135048D+01  0.517591D+00 -0.618567D+00  0.170452D+00 -0.533134D+00
      3   0.517591D+00 -0.201598D+01  0.116589D+00 -0.533134D+00  0.139951D+00
               106           107           108           109           110 
      1  -0.259927D+01  0.232797D+00 -0.180688D+01 -0.795259D+00  0.151446D+01
      2   0.232797D+00 -0.205620D+01  0.104208D+01  0.151446D+01 -0.267345D+01
      3  -0.180688D+01  0.104208D+01 -0.432774D+01  0.305399D+00 -0.601574D+00
               111           112           113           114           115 
      1   0.305399D+00  0.220521D+01 -0.232084D+01 -0.731615D+00  0.113014D+01
      2  -0.601574D+00 -0.232084D+01  0.638072D+01  0.164884D+01 -0.104937D+01
      3  -0.689200D+00 -0.731615D+00  0.164884D+01  0.152614D+01 -0.783842D+00
               116           117           118           119           120 
      1  -0.104937D+01 -0.783842D+00  0.153862D+01 -0.763837D+00 -0.367425D+00
      2   0.332036D+01  0.175130D+01 -0.763837D+00  0.142056D+01  0.774427D+00
      3   0.175130D+01  0.157724D+01 -0.367425D+00  0.774427D+00  0.133336D+01
               121           122           123           124           125 
      1  -0.198022D+01  0.674379D+00  0.441485D+00 -0.578051D+00  0.367963D+00
      2   0.674379D+00 -0.352784D+01 -0.189944D+01  0.367963D+00 -0.153756D+01
      3   0.441485D+00 -0.189944D+01 -0.224158D+01  0.286513D+00 -0.101562D+01
               126 
      1   0.286513D+00
      2  -0.101562D+01
      3  -0.196067D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.536187D+01 -0.101357D+01  0.189064D+01 -0.804611D-01 -0.614543D+00
      2   0.716372D+01  0.295045D+01  0.143453D+01  0.526019D+01  0.482712D+01
      3  -0.694728D+01  0.303564D+00  0.303328D+01  0.680563D+01  0.552467D+01
                 6             7             8             9            10 
      1  -0.451410D+01  0.149649D+01 -0.294895D+01  0.355782D+01  0.442884D+01
      2  -0.428358D+01 -0.215820D+01 -0.396493D+01 -0.232974D+01 -0.376196D+01
      3  -0.549772D+01  0.134031D+01 -0.451334D+01  0.267089D+01  0.144746D+01
                11            12            13            14            15 
      1   0.763301D+00  0.584630D-01  0.589730D+00 -0.690896D+00  0.100347D+01
      2  -0.335924D+01  0.254588D+01 -0.582051D+01 -0.211506D+01 -0.782488D+00
      3  -0.431732D+01 -0.121493D+01  0.159022D+01  0.151033D+01  0.122475D+01
                16            17            18            19            20 
      1   0.671422D+00  0.584796D+01 -0.707317D+00 -0.117303D+01  0.275659D+01
      2  -0.249999D+01 -0.112965D+01 -0.485443D+00 -0.908125D+01  0.162847D+01
      3   0.213220D+01  0.172123D+01 -0.666835D+00  0.467245D+01 -0.398220D+01
                21            22            23            24            25 
      1   0.610306D+00  0.334388D+01  0.159556D+01  0.788912D+01 -0.150973D+01
      2  -0.242464D+01 -0.150481D+01  0.117310D+01  0.164138D+01 -0.158390D+02
      3  -0.216493D+00 -0.569895D+01 -0.867391D+01 -0.254447D+01  0.374552D-01
                26            27            28            29            30 
      1   0.825896D+01 -0.172806D+01  0.124731D+01 -0.344345D+01 -0.234199D+01
      2   0.290162D+01  0.704586D+01  0.141627D+01 -0.161314D+01  0.715298D+01
      3  -0.286394D+01  0.397097D-01  0.263849D+01 -0.120539D+02  0.348859D+00
                31            32            33            34            35 
      1  -0.286243D+01  0.343153D+01 -0.345042D+01  0.341060D+00  0.275859D+01
      2  -0.180190D+01  0.102386D+01 -0.413259D+00  0.499727D+01 -0.481123D+00
      3  -0.774630D+01  0.123078D+02  0.113754D+01 -0.568987D+00  0.232976D+01
                36            37            38            39            40 
      1   0.782088D+00 -0.137540D+01  0.309278D+01 -0.181544D+01  0.803041D+00
      2  -0.573935D+01 -0.461104D+00  0.373233D+01  0.996441D+01  0.214262D+01
      3  -0.155540D+01  0.478580D+01 -0.774523D+01 -0.256922D+01 -0.323472D+01
                41            42            43            44            45 
      1  -0.421884D+01 -0.448032D+01 -0.215095D+00  0.439629D+01 -0.472182D+01
      2  -0.182332D+01 -0.190669D+01 -0.880095D+00  0.119102D-01  0.747497D+01
      3   0.448643D+01  0.114604D+01 -0.112268D+01 -0.287135D+00  0.528322D+00
                46            47            48            49            50 
      1  -0.153361D+01 -0.261691D+01 -0.544452D+01 -0.303277D+01  0.825640D+01
      2   0.635695D+00 -0.172179D+01  0.495066D+01  0.830426D+00  0.269897D+00
      3   0.224721D+01 -0.840786D+01  0.246303D+01  0.274339D+01  0.398663D+01
                51            52            53            54            55 
      1  -0.430597D+01 -0.628478D+01  0.499052D+01 -0.169672D+01  0.154390D+00
      2   0.748412D+00 -0.236786D+01  0.120120D+01  0.437230D+00  0.186319D+01
      3   0.155251D+01  0.924819D+00  0.263926D+01  0.518893D+01  0.187063D+01
                56            57            58            59            60 
      1   0.117998D+00  0.135465D+01  0.501309D+00 -0.216034D+01 -0.115208D+02
      2  -0.790598D+00  0.311646D+01  0.305678D+01 -0.341220D+00 -0.369694D+01
      3  -0.205558D+01  0.521704D+00  0.133887D+02  0.150452D+02 -0.438418D+00
                61            62            63            64            65 
      1   0.699774D+00  0.512366D+00  0.467547D+00 -0.900409D+00  0.161167D+00
      2   0.590416D+00 -0.460167D+01 -0.643710D+00 -0.270314D+00 -0.173342D-01
      3   0.366396D+00 -0.238997D-01  0.399306D+01  0.961528D-01 -0.647004D+00
                66            67            68            69            70 
      1  -0.277288D+00 -0.100029D+00  0.161027D+01 -0.351028D+00 -0.252039D+00
      2  -0.547869D+00  0.566322D+00 -0.322191D+00 -0.129549D+00 -0.358830D+01
      3   0.887126D+00  0.119183D+01  0.130563D+00  0.227190D+00  0.825990D+00
                71            72            73            74            75 
      1   0.306839D+01 -0.235238D+01 -0.113177D+00 -0.950213D-01 -0.174680D-01
      2  -0.469029D+00 -0.216008D+01 -0.234582D+01  0.167101D+00 -0.452175D+00
      3  -0.477669D-01  0.602143D+00 -0.126328D+01 -0.422530D+00 -0.415993D+00
                76            77            78            79            80 
      1  -0.759795D+00 -0.526290D+01 -0.813819D+00  0.195452D+00  0.281637D+01
      2   0.155356D+01 -0.332777D+01  0.471988D+01 -0.183900D+01  0.320403D+01
      3   0.149633D+01 -0.925024D+01  0.448592D+01 -0.644297D+00  0.410929D+01
                81            82            83            84            85 
      1  -0.118584D+00  0.214041D+01 -0.190325D+01 -0.182649D+00 -0.145807D+01
      2  -0.446231D+01  0.221380D+01 -0.376028D+00  0.343415D+01 -0.199434D+01
      3  -0.396465D+01  0.404786D+01 -0.530889D+01 -0.191798D+01 -0.214561D+01
                86            87            88            89            90 
      1   0.224370D+01  0.266940D+00 -0.707440D+00  0.238007D+01  0.332898D+00
      2  -0.672825D+00 -0.214984D+01  0.447963D+00 -0.510941D+00 -0.123516D+01
      3   0.462170D+01  0.261340D+01 -0.109591D+01  0.254932D+01  0.129467D+01
                91            92            93            94            95 
      1  -0.162711D+01  0.256920D+01 -0.123944D+01  0.269942D+01 -0.435804D+01
      2  -0.174834D+01  0.152935D+01 -0.857665D+00  0.162666D+01 -0.280372D+01
      3  -0.353163D+01  0.683079D+01  0.439667D+00  0.990907D+01 -0.171423D+02
                96            97            98            99           100 
      1  -0.475081D+00 -0.957883D+00  0.141811D+01  0.583206D+00  0.334303D+01
      2   0.270788D+01 -0.165194D+01  0.156061D+01 -0.110903D+00 -0.125348D+01
      3   0.302046D+00 -0.269700D-01 -0.436947D+00  0.252852D+00 -0.289033D+01
               101           102           103           104           105 
      1   0.216910D+00  0.512276D+01  0.727920D+00  0.176231D+01 -0.269501D+00
      2   0.434836D-01  0.729293D-01 -0.588474D+00 -0.930104D+00 -0.397768D+00
      3  -0.360992D+00 -0.300133D+01  0.294329D+00 -0.164598D+01  0.148862D+00
               106           107           108           109           110 
      1   0.478369D+01  0.150904D+00  0.883487D+01 -0.491190D+00  0.174835D+01
      2  -0.258376D+01 -0.538929D+00  0.228641D+00  0.379695D+00  0.724551D-01
      3  -0.626804D+01 -0.383154D+00 -0.398887D+01 -0.215275D+01  0.200112D+01
               111           112           113           114           115 
      1   0.215014D+01  0.264929D+01 -0.403999D+01 -0.476741D+01  0.213528D+01
      2   0.396626D+00 -0.294606D+00  0.774826D-03 -0.555151D+00 -0.960383D+00
      3   0.553425D+00  0.648793D+01 -0.392233D+01 -0.196161D+01  0.329883D+01
               116           117           118           119           120 
      1  -0.324404D+01 -0.380508D+01  0.126181D+01 -0.235408D+01  0.131857D+00
      2   0.387192D-01 -0.414245D+00  0.374631D+01 -0.282840D+01 -0.297313D+01
      3  -0.182989D+01 -0.189633D+01 -0.519339D+01  0.378271D+01  0.167175D+01
               121           122           123           124           125 
      1  -0.151746D+01  0.302868D+01 -0.242341D-01 -0.223606D+00  0.197774D+01
      2  -0.303193D+01  0.504147D+01  0.449772D+01 -0.233979D+01  0.260542D+01
      3   0.559081D+01 -0.680577D+01 -0.389941D+01  0.800875D+00 -0.296278D+01
               126 
      1  -0.113873D-01
      2   0.389761D+01
      3  -0.249849D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.715674D+01  0.109932D+02  0.667489D+01  0.132023D+02  0.608680D+00
      2   0.249601D+01 -0.806299D+01 -0.231362D+01 -0.940278D+01 -0.203399D+00
      3   0.466073D+01 -0.293022D+01 -0.436127D+01 -0.379956D+01 -0.405281D+00
      4   0.128521D+02 -0.236108D+01 -0.625325D+01 -0.422664D+01 -0.210771D+01
      5   0.557336D+01 -0.898798D+01 -0.691287D+01 -0.114413D+02  0.108305D+02
      6  -0.359740D+01 -0.435706D-01  0.953239D+00  0.307735D+01  0.723215D+01
                 6             7             8             9            10 
      1  -0.970029D+01  0.238036D+01 -0.826353D+01 -0.496664D+01 -0.285291D+01
      2   0.713068D+01 -0.296500D+01  0.148677D+01  0.294055D+01  0.644091D+01
      3   0.256962D+01  0.584642D+00  0.677676D+01  0.202609D+01 -0.358800D+01
      4   0.899222D+01 -0.943913D+01  0.532816D+01 -0.500374D+01 -0.218172D+01
      5  -0.375351D+01 -0.158549D+02 -0.566392D+01 -0.161157D+01 -0.322729D+00
      6  -0.889888D+01 -0.172343D+01 -0.114788D+02  0.322193D+01  0.275285D+00
                11            12            13            14            15 
      1  -0.122228D+01  0.348597D+01 -0.458944D+01  0.389479D+01  0.141994D+01
      2   0.187476D+01  0.244388D+01  0.294375D+01 -0.649779D+01  0.248946D+01
      3  -0.652475D+00 -0.592985D+01  0.164568D+01  0.260299D+01 -0.390940D+01
      4   0.459185D+01  0.459240D+00 -0.461491D+01 -0.278895D+01 -0.306245D+00
      5   0.255831D+01  0.234338D+01  0.522780D+01 -0.130218D+01 -0.137181D+01
      6  -0.184585D+01 -0.234181D+01 -0.495119D+00  0.111653D+01 -0.281584D+01
                16            17            18            19            20 
      1  -0.952256D+00 -0.213321D-01  0.123617D+02 -0.713217D+01 -0.655779D+01
      2   0.244054D+01  0.102405D+02  0.930773D+01  0.216968D+01  0.575218D+01
      3  -0.148829D+01 -0.102192D+02 -0.216694D+02  0.496249D+01  0.805613D+00
      4   0.405172D+01 -0.185635D+01 -0.732342D+00 -0.483440D+01 -0.241131D+01
      5   0.196354D+00  0.116392D+01 -0.115616D+01  0.445354D+01  0.229132D+01
      6  -0.714853D+00 -0.239955D+01 -0.906602D+01  0.630228D+00 -0.120113D+00
                21            22            23            24            25 
      1  -0.100175D+01 -0.219281D+01  0.140336D+02 -0.181016D+01  0.641263D+01
      2  -0.679124D+01  0.495678D+01 -0.257738D+02 -0.266080D+01 -0.628803D+01
      3   0.779299D+01 -0.276397D+01  0.117403D+02  0.447096D+01 -0.124596D+00
      4   0.177175D+01 -0.154677D+02  0.183759D+02 -0.221697D+01  0.504262D+01
      5  -0.381230D+01  0.271900D+01 -0.524521D+01  0.674902D+00  0.167264D+01
      6  -0.144520D+01 -0.186256D+01  0.341399D+01 -0.119629D+02  0.179436D+01
                26            27            28            29            30 
      1   0.239341D+01 -0.267367D+01  0.423028D+02  0.498405D+01 -0.459209D+01
      2  -0.374397D+00 -0.359181D+01 -0.270415D+02 -0.998885D+00  0.724452D+01
      3  -0.201902D+01  0.626548D+01 -0.152613D+02 -0.398516D+01 -0.265243D+01
      4   0.198141D+01  0.191916D+01  0.115600D+02  0.114118D+02 -0.194388D+01
      5   0.101389D+01  0.719602D+01 -0.888236D+01 -0.113822D+01  0.141105D+02
      6   0.239821D+01  0.298322D+01 -0.330512D+00 -0.988914D+00  0.320218D+01
                31            32            33            34            35 
      1  -0.464686D+01  0.787751D+01  0.157603D+01 -0.486501D+01 -0.108624D+01
      2   0.550344D+01 -0.323036D+01 -0.337195D+00  0.591113D+01  0.538069D+00
      3  -0.856579D+00 -0.464715D+01 -0.123884D+01 -0.104613D+01  0.548176D+00
      4   0.131741D+02 -0.153328D+01 -0.167060D+01 -0.373657D+01 -0.168742D+01
      5   0.138269D+01 -0.204521D+01  0.477447D+00  0.136864D+02  0.371774D+01
      6  -0.171944D+01  0.930365D+00  0.703416D+01  0.461912D+00  0.469945D+01
                36            37            38            39            40 
      1   0.403393D+01  0.200311D+02 -0.395471D+01  0.128505D+01 -0.649961D+01
      2  -0.108340D+02 -0.118653D+02  0.478865D+01 -0.372317D+01  0.615398D+01
      3   0.680011D+01 -0.816579D+01 -0.833937D+00  0.243812D+01  0.345622D+00
      4   0.272838D+01  0.442201D+01  0.962831D+01  0.331252D+01  0.864548D+01
      5  -0.118390D+02  0.104387D+02  0.205133D+01  0.125812D+02  0.231509D+01
      6  -0.162100D+01  0.458377D-01  0.664601D+01  0.521731D+01  0.371582D+01
                41            42            43            44            45 
      1   0.655134D+01  0.404238D+01  0.503645D+01  0.522477D+01  0.144377D+01
      2  -0.142643D+01 -0.312796D+01 -0.438921D+01 -0.170345D+01 -0.137567D+02
      3  -0.512490D+01 -0.914419D+00 -0.647236D+00 -0.352131D+01  0.123130D+02
      4  -0.958091D+00  0.868507D+00  0.722141D+01  0.227872D+01  0.366310D+01
      5   0.188964D+01 -0.185074D+01  0.180279D+02  0.421358D+01  0.164864D+02
      6  -0.407134D+01  0.249666D+01  0.442324D+01  0.707596D+01  0.271019D+01
                46            47            48            49            50 
      1   0.116892D+02 -0.740954D+01 -0.220227D+01 -0.485120D+01 -0.981316D+01
      2  -0.813497D+01  0.127050D+02  0.436870D+01  0.106476D+02  0.130214D+02
      3  -0.355425D+01 -0.529542D+01 -0.216643D+01 -0.579636D+01 -0.320827D+01
      4   0.167725D+01 -0.226682D+01  0.215884D+01  0.282193D+01  0.107520D+02
      5  -0.216035D+01 -0.545258D+00  0.936475D+00 -0.151481D+01  0.209742D+01
      6   0.186266D+01  0.319331D+01  0.954631D+01  0.285220D+01 -0.136179D+02
                51            52            53            54            55 
      1   0.643292D+01 -0.355507D+01  0.785439D+01 -0.204923D+01  0.478824D+01
      2  -0.107195D+02  0.678465D+01 -0.150995D+02 -0.246289D+00  0.177193D+01
      3   0.428659D+01 -0.322958D+01  0.724511D+01  0.229551D+01 -0.656018D+01
      4   0.214300D+01  0.135456D+01  0.359866D+01  0.894110D+01 -0.957087D+01
      5   0.138010D+01  0.227675D+01  0.192187D+01 -0.347015D+01  0.244669D+01
      6   0.491397D+01  0.924692D+01  0.132439D+01  0.188993D+01 -0.116923D+01
                56            57            58            59            60 
      1  -0.462124D+01 -0.288678D-01 -0.574688D+01 -0.289260D+02  0.346313D+01
      2  -0.305409D+00  0.111313D+01 -0.127511D+01  0.514233D+02 -0.118884D+01
      3   0.492665D+01 -0.108426D+01  0.702199D+01 -0.224973D+02 -0.227428D+01
      4   0.157148D+02 -0.186415D+01  0.196898D+02 -0.332784D+02  0.405619D+01
      5  -0.282258D+01  0.545287D+01 -0.162148D+01  0.778227D+01 -0.636743D+01
      6   0.170144D+01 -0.208317D+01  0.278205D+01 -0.523504D+01  0.169408D+02
                61            62            63            64            65 
      1   0.491642D+00  0.974321D+00 -0.647257D+01  0.100086D+00 -0.122101D+01
      2   0.132786D+01 -0.655014D+00  0.384543D+01 -0.375061D+01  0.416362D+00
      3  -0.181950D+01 -0.319307D+00  0.262714D+01  0.365052D+01  0.804652D+00
      4  -0.172894D+01  0.209414D+01 -0.795435D+01  0.696911D+00  0.213773D+01
      5   0.578954D+01 -0.848058D+01  0.286473D+01  0.129727D+01  0.116215D+01
      6  -0.255174D+01  0.146060D+02 -0.304999D+01  0.206353D+01  0.151825D+01
                66            67            68            69            70 
      1  -0.236978D+01 -0.225354D+00 -0.499325D+01 -0.285103D+01 -0.152003D+01
      2  -0.172444D+01 -0.448794D+00  0.109253D+01  0.764381D+00 -0.887786D+00
      3   0.409422D+01  0.674147D+00  0.390072D+01  0.208665D+01  0.240782D+01
      4   0.183906D+01  0.244980D+01  0.201042D+00  0.371182D+00  0.729723D+00
      5   0.671166D+01  0.468574D+00  0.608540D+00  0.375000D+00  0.569551D+01
      6   0.169691D+01  0.124632D+01  0.374383D+01  0.830003D+01  0.959285D+00
                71            72            73            74            75 
      1  -0.466114D+01 -0.197485D+02  0.999911D+00  0.167675D+01 -0.357072D+01
      2  -0.864984D+00 -0.167130D+02  0.128978D+00 -0.244462D-01  0.150802D+01
      3   0.552612D+01  0.364615D+02 -0.112889D+01 -0.165230D+01  0.206270D+01
      4   0.599713D+00  0.113261D+01  0.162358D+01  0.405006D+01 -0.148304D+01
      5   0.626994D-01  0.156667D+01 -0.305800D+01 -0.126830D+01  0.279219D+01
      6   0.782066D+01  0.132981D+02 -0.229986D+01 -0.439259D+00 -0.483002D-02
                76            77            78            79            80 
      1   0.287343D+01 -0.668202D+01  0.584050D+01 -0.261164D+01  0.488110D+01
      2  -0.956849D+00  0.919642D+01 -0.267025D+01  0.217281D+01 -0.108796D+01
      3  -0.191658D+01 -0.251440D+01 -0.317025D+01  0.438837D+00 -0.379314D+01
      4   0.727657D+01  0.153785D+02 -0.784390D+01 -0.237803D+01 -0.638027D+01
      5  -0.375429D+01 -0.918858D+01  0.101248D+02  0.556025D+01  0.779083D+01
      6  -0.262487D+01 -0.147959D+02  0.123822D+02  0.165568D+01  0.111453D+02
                81            82            83            84            85 
      1  -0.619712D+01  0.298737D+02 -0.813363D+01 -0.811580D+01 -0.130018D+02
      2  -0.175431D+01 -0.177249D+02  0.419155D+01  0.698824D+01  0.731580D+01
      3   0.795143D+01 -0.121488D+02  0.394207D+01  0.112755D+01  0.568603D+01
      4   0.632931D+01 -0.103315D+02  0.895760D+01  0.409247D+01  0.109849D+02
      5  -0.100928D+02 -0.159861D+02  0.559899D+01  0.125585D+02  0.859092D+01
      6  -0.116030D+02  0.277238D+01 -0.263595D+01 -0.116169D+01 -0.335115D+01
                86            87            88            89            90 
      1   0.533487D+01  0.346275D+01 -0.663851D+01  0.154460D+01  0.475846D+01
      2  -0.132929D+01 -0.365162D+01  0.669202D+01 -0.190400D+01 -0.669501D+01
      3  -0.400558D+01  0.188867D+00 -0.535144D-01  0.359396D+00  0.193654D+01
      4  -0.106929D+02 -0.588852D+01  0.342063D+01 -0.417553D+01 -0.387535D+01
      5  -0.699954D+01 -0.729737D+01  0.129452D+02 -0.445322D+01 -0.997299D+01
      6   0.303921D+01  0.395384D+01 -0.179896D+01  0.408892D+01  0.244166D+01
                91            92            93            94            95 
      1  -0.639870D+01  0.280913D+01  0.619564D+00  0.134607D+02 -0.450777D+01
      2   0.706406D+01 -0.134139D-01 -0.132236D+01 -0.870583D+01  0.695344D+01
      3  -0.665358D+00 -0.279572D+01  0.702796D+00 -0.475484D+01 -0.244568D+01
      4   0.478726D+01  0.187591D+01 -0.167178D+00  0.565358D+01  0.138686D+02
      5   0.165117D+01 -0.100010D+01 -0.103824D+01 -0.365213D+01 -0.104096D+01
      6  -0.539056D+00 -0.265555D+00  0.229428D+01 -0.111443D+01 -0.342840D+01
                96            97            98            99           100 
      1  -0.122677D+01  0.123593D+01  0.740317D+00 -0.928096D+00  0.125771D+01
      2   0.126484D+01 -0.748400D+00 -0.440745D+00 -0.279336D+00 -0.678454D+00
      3  -0.380741D-01 -0.487526D+00 -0.299573D+00  0.120743D+01 -0.579254D+00
      4  -0.295739D+01 -0.751507D+00 -0.178759D+01  0.255547D+01 -0.440990D+01
      5   0.490082D+01  0.229819D+01  0.207076D+01 -0.145090D+01  0.403775D+01
      6   0.134767D+01  0.149540D+01  0.246904D+01 -0.193177D+01 -0.444759D+01
               101           102           103           104           105 
      1   0.233924D+01  0.254737D+00  0.568848D+00 -0.439711D+00  0.937863D+00
      2  -0.411416D+01 -0.148442D+01 -0.173622D+01  0.143961D+01 -0.178825D+01
      3   0.177492D+01  0.122968D+01  0.116737D+01 -0.999903D+00  0.850386D+00
      4   0.536199D+01 -0.475694D+01  0.330723D+01 -0.129190D+01  0.146322D+01
      5  -0.120558D+01  0.475909D+01 -0.388787D+00  0.160334D+01 -0.902212D+00
      6   0.270898D+01 -0.801278D+01  0.158782D+01 -0.123585D+01  0.227393D+01
               106           107           108           109           110 
      1   0.934189D+00  0.379730D+01 -0.338139D+01 -0.992571D+00  0.516627D+01
      2  -0.275419D+01 -0.538391D+01 -0.383520D+01  0.481833D+01 -0.121936D+02
      3   0.182000D+01  0.158661D+01  0.721659D+01 -0.382576D+01  0.702729D+01
      4  -0.815900D+01  0.385674D+01 -0.693742D+01 -0.529519D+01  0.995923D+01
      5   0.472758D+01 -0.224974D+01  0.705880D+01 -0.142811D+01  0.166287D+01
      6  -0.673157D+01  0.482753D+01 -0.146304D+02  0.263896D+01 -0.476166D+01
               111           112           113           114           115 
      1   0.104700D+01  0.385176D+01 -0.157085D+02 -0.449693D+01  0.177348D+01
      2  -0.228818D+01 -0.969279D+01  0.309042D+02  0.824739D+01 -0.367794D+01
      3   0.124119D+01  0.584103D+01 -0.151958D+02 -0.375046D+01  0.190446D+01
      4   0.220653D+01  0.105178D+02 -0.135058D+02 -0.427726D+01  0.436917D+01
      5   0.258976D+01  0.663313D+00 -0.222156D+01 -0.150269D+01  0.242453D+01
      6  -0.369584D+01 -0.474885D+01  0.123175D+02  0.852251D+01 -0.436631D+01
               116           117           118           119           120 
      1  -0.833777D+01 -0.542042D+01 -0.471426D+01  0.561261D+01  0.450612D+01
      2   0.137474D+02  0.613501D+01  0.340805D+01 -0.424612D+01 -0.201509D+01
      3  -0.540965D+01 -0.714589D+00  0.130622D+01 -0.136650D+01 -0.249103D+01
      4  -0.667929D+01 -0.411374D+01 -0.649779D+00 -0.188322D+01 -0.537640D+00
      5  -0.221572D+01 -0.215940D+01 -0.106678D+01  0.477364D+00 -0.144619D+01
      6   0.120672D+02  0.882384D+01  0.209477D+01 -0.466713D+01 -0.416491D+01
               121           122           123           124           125 
      1   0.756640D+01 -0.104083D+02 -0.631322D+01  0.388181D+01 -0.426308D+01
      2  -0.484189D+01  0.107860D+02  0.469345D+01 -0.161448D+01  0.227831D+01
      3  -0.272451D+01 -0.377737D+00  0.161977D+01 -0.226733D+01  0.198478D+01
      4   0.113463D+01  0.792675D+01  0.426061D+01  0.334398D-02  0.282891D+01
      5   0.100541D+01  0.323147D+01  0.511267D+01  0.190051D+01  0.145368D+01
      6  -0.235109D+01  0.942516D+01  0.713797D+01 -0.180415D+01  0.612259D+01
               126 
      1  -0.517754D+01
      2   0.105964D+01
      3   0.411791D+01
      4   0.134780D+01
      5   0.357439D+01
      6   0.536770D+01
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Mon Aug 16 21:37:38 2021, MaxMem=  5637144576 cpu:            8615.8 elap:            1077.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -18.99403 -18.96990 -18.94327 -14.20305 -10.21021
 Alpha  occ. eigenvalues --  -10.13723 -10.13518  -1.22983  -1.16136  -1.14382
 Alpha  occ. eigenvalues --   -1.05085  -0.88761  -0.79486  -0.72766  -0.68284
 Alpha  occ. eigenvalues --   -0.65204  -0.63673  -0.60020  -0.58940  -0.56491
 Alpha  occ. eigenvalues --   -0.55321  -0.52613  -0.49482  -0.46121  -0.43703
 Alpha  occ. eigenvalues --   -0.43354  -0.40625  -0.37780
 Alpha virt. eigenvalues --    0.02004   0.03812   0.04469   0.04612   0.06644
 Alpha virt. eigenvalues --    0.06927   0.07256   0.08392   0.10036   0.10459
 Alpha virt. eigenvalues --    0.11653   0.13143   0.13873   0.13924   0.14551
 Alpha virt. eigenvalues --    0.14671   0.15395   0.15998   0.17465   0.18315
 Alpha virt. eigenvalues --    0.19651   0.20016   0.20679   0.21234   0.23742
 Alpha virt. eigenvalues --    0.24798   0.25361   0.26026   0.26508   0.27341
 Alpha virt. eigenvalues --    0.27578   0.28609   0.29158   0.30169   0.31361
 Alpha virt. eigenvalues --    0.31901   0.32168   0.33106   0.33611   0.34886
 Alpha virt. eigenvalues --    0.35676   0.37510   0.37991   0.39402   0.39647
 Alpha virt. eigenvalues --    0.41264   0.41736   0.42471   0.44205   0.44825
 Alpha virt. eigenvalues --    0.45330   0.46029   0.47760   0.48605   0.49590
 Alpha virt. eigenvalues --    0.51229   0.52100   0.53136   0.53776   0.55044
 Alpha virt. eigenvalues --    0.55492   0.56503   0.58733   0.59842   0.60825
 Alpha virt. eigenvalues --    0.61635   0.62906   0.63965   0.65156   0.65607
 Alpha virt. eigenvalues --    0.66721   0.68355   0.69529   0.71343   0.71781
 Alpha virt. eigenvalues --    0.72741   0.74320   0.74639   0.76089   0.76484
 Alpha virt. eigenvalues --    0.78133   0.80859   0.83597   0.84311   0.84888
 Alpha virt. eigenvalues --    0.86238   0.87298   0.89057   0.90233   0.93197
 Alpha virt. eigenvalues --    0.94251   0.97091   0.98362   1.00034   1.02501
 Alpha virt. eigenvalues --    1.03539   1.05350   1.06997   1.08420   1.12314
 Alpha virt. eigenvalues --    1.13897   1.14125   1.15773   1.18953   1.19235
 Alpha virt. eigenvalues --    1.22179   1.23672   1.25006   1.25142   1.28744
 Alpha virt. eigenvalues --    1.31459   1.34418   1.35479   1.37712   1.37824
 Alpha virt. eigenvalues --    1.41480   1.44149   1.47596   1.49001   1.53910
 Alpha virt. eigenvalues --    1.56941   1.58557   1.61143   1.63648   1.64674
 Alpha virt. eigenvalues --    1.65091   1.67132   1.68288   1.71114   1.72769
 Alpha virt. eigenvalues --    1.77792   1.81172   1.82771   1.84770   1.86637
 Alpha virt. eigenvalues --    1.88772   1.91242   1.92570   1.92754   1.96454
 Alpha virt. eigenvalues --    1.98553   2.03658   2.04401   2.07008   2.08948
 Alpha virt. eigenvalues --    2.11800   2.12732   2.14479   2.16521   2.19294
 Alpha virt. eigenvalues --    2.22484   2.24251   2.26331   2.28166   2.30080
 Alpha virt. eigenvalues --    2.32455   2.36356   2.37618   2.42235   2.43809
 Alpha virt. eigenvalues --    2.47698   2.51866   2.54528   2.59408   2.61060
 Alpha virt. eigenvalues --    2.64688   2.67523   2.71677   2.72974   2.74800
 Alpha virt. eigenvalues --    2.84397   2.85185   2.90053   2.91266   3.00120
 Alpha virt. eigenvalues --    3.07346   3.12461   3.20301   3.31005   3.36650
 Alpha virt. eigenvalues --    3.42374   3.46105   3.46534   3.48374   3.50699
 Alpha virt. eigenvalues --    3.51125   3.52296   3.55460   3.57707   3.64033
 Alpha virt. eigenvalues --    3.66991   3.70199   3.79471   3.88648   4.03922
 Alpha virt. eigenvalues --    4.04990
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    4.462916   0.323950  -0.183007  -0.031842   0.161311  -0.073067
     2  C    0.323950   6.562798  -0.806624   0.207303  -0.093489  -0.043326
     3  C   -0.183007  -0.806624   6.414627  -0.185072   0.003511   0.065165
     4  O   -0.031842   0.207303  -0.185072   8.281567   0.006290  -0.064310
     5  O    0.161311  -0.093489   0.003511   0.006290   8.246087  -0.000141
     6  N   -0.073067  -0.043326   0.065165  -0.064310  -0.000141   6.644433
     7  O    0.015593   0.007032   0.222525  -0.080943   0.008246  -0.018156
     8  H    0.000487  -0.071456  -0.085808   0.014511   0.006547  -0.005840
     9  H    0.034843   0.048038  -0.057193   0.006326   0.005737   0.016049
    10  H    0.223667  -0.027294  -0.009460   0.003329  -0.202836   0.029757
    11  H    0.004217  -0.111632  -0.042489   0.246749  -0.000251   0.046546
    12  H   -0.090039  -0.133533   0.045978  -0.003603   0.029993   0.405340
    13  H   -0.002657   0.089597  -0.038310   0.002449  -0.005309   0.273855
    14  H   -0.043876   0.050563  -0.029188   0.002465   0.270832  -0.011215
               7          8          9         10         11         12
     1  C    0.015593   0.000487   0.034843   0.223667   0.004217  -0.090039
     2  C    0.007032  -0.071456   0.048038  -0.027294  -0.111632  -0.133533
     3  C    0.222525  -0.085808  -0.057193  -0.009460  -0.042489   0.045978
     4  O   -0.080943   0.014511   0.006326   0.003329   0.246749  -0.003603
     5  O    0.008246   0.006547   0.005737  -0.202836  -0.000251   0.029993
     6  N   -0.018156  -0.005840   0.016049   0.029757   0.046546   0.405340
     7  O    8.275618   0.008347   0.012774   0.003760   0.017051   0.001569
     8  H    0.008347   1.480794  -0.025564  -0.089738  -0.001684   0.041388
     9  H    0.012774  -0.025564   1.712228  -0.414715  -0.001163   0.005906
    10  H    0.003760  -0.089738  -0.414715   1.766303  -0.000906  -0.026120
    11  H    0.017051  -0.001684  -0.001163  -0.000906   0.637476   0.000355
    12  H    0.001569   0.041388   0.005906  -0.026120   0.000355   0.783559
    13  H    0.001495  -0.094152  -0.000800  -0.000673  -0.000025  -0.130568
    14  H    0.014640   0.005766  -0.077867   0.051526  -0.000490  -0.003924
              13         14
     1  C   -0.002657  -0.043876
     2  C    0.089597   0.050563
     3  C   -0.038310  -0.029188
     4  O    0.002449   0.002465
     5  O   -0.005309   0.270832
     6  N    0.273855  -0.011215
     7  O    0.001495   0.014640
     8  H   -0.094152   0.005766
     9  H   -0.000800  -0.077867
    10  H   -0.000673   0.051526
    11  H   -0.000025  -0.000490
    12  H   -0.130568  -0.003924
    13  H    0.863198   0.000213
    14  H    0.000213   0.621922
 Mulliken charges:
               1
     1  C    1.197505
     2  C   -0.001928
     3  C    0.685345
     4  O   -0.405220
     5  O   -0.436526
     6  N   -0.265089
     7  O   -0.489552
     8  H   -0.183599
     9  H   -0.264599
    10  H   -0.306600
    11  H    0.206245
    12  H    0.073699
    13  H    0.041686
    14  H    0.148634
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C    0.626305
     2  C   -0.185526
     3  C    0.685345
     4  O   -0.198975
     5  O   -0.287893
     6  N   -0.149704
     7  O   -0.489552
 Electronic spatial extent (au):  <R**2>=            734.7960
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -2.1870    Y=              3.3407    Z=              1.4475  Tot=              4.2472
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -49.0795   YY=            -40.6795   ZZ=            -39.5773
   XY=              1.9031   XZ=             -1.8473   YZ=              2.1406
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             -5.9674   YY=              2.4326   ZZ=              3.5348
   XY=              1.9031   XZ=             -1.8473   YZ=              2.1406
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.1652  YYY=             12.9888  ZZZ=             -2.1843  XYY=            -10.9856
  XXY=              7.8158  XXZ=              7.6698  XZZ=              0.6797  YZZ=              0.5456
  YYZ=             -3.7273  XYZ=             -0.4260
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -510.2813 YYYY=           -297.1437 ZZZZ=           -118.4281 XXXY=             -0.7696
 XXXZ=             -9.8451 YYYX=              3.7817 YYYZ=             13.7988 ZZZX=              3.8487
 ZZZY=              4.5540 XXYY=           -126.6330 XXZZ=           -103.0901 YYZZ=            -62.7459
 XXYZ=             -3.1471 YYXZ=             -0.0646 ZZXY=              1.4372
 N-N= 3.289801627738D+02 E-N=-1.592289440678D+03  KE= 3.958706423974D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Mon Aug 16 21:37:39 2021, MaxMem=  5637144576 cpu:               2.4 elap:               0.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-8.37095371D-01 1.30233030D+00 5.19226124D-01
 Polarizability= 5.58131470D+01-7.12501009D-02 5.98544758D+01
                -3.02624471D+00-9.63500321D-01 4.73939377D+01
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 3     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        1.5036    1.5030        0.1726    0.1729
 2     -1.5036   -1.5030        0.5829    0.5828        1.7106    1.7102
 3     -0.1726   -0.1729        4.8595    4.8602       -0.5829   -0.5828
 4     -0.5829   -0.5828        0.0000    0.0000       -0.1728   -0.1729
 5     -6.5701   -6.5704        0.1728    0.1729        1.5034    1.5030
 6      0.5829    0.5828       -1.5034   -1.5030        0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -4.5089   -4.5089        0.5187    0.5187
 2     -1.7485   -1.7485        0.0000    0.0000        0.5187    0.5187
 3     -1.7485   -1.7485       -4.5089   -4.5089       -0.0000    0.0000
 4     -4.5089   -4.5089        1.7485    1.7485        5.1306    5.1306
 5     -0.5187   -0.5187       14.5807   14.5807       -1.7485   -1.7485
 6    -19.7113  -19.7113        0.5187    0.5187        4.5089    4.5089
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0070    0.0000       -5.9952   -6.0119       -0.6794   -0.6916
 2      5.9910    6.0119       -2.3234   -2.3313       -6.8221   -6.8408
 3      0.6864    0.6916      -19.4373  -19.4409        2.3142    2.3313
 4      2.3230    2.3313        0.0061    0.0000        0.6913    0.6916
 5     26.2848   26.2817       -0.6848   -0.6916       -6.0101   -6.0119
 6     -2.3315   -2.3313        6.0131    6.0119        0.0045    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0026    0.0000        4.8768    4.8831        5.1360    5.1538
 2     -4.8894   -4.8831      -15.3081  -15.2977       12.0361   12.0857
 3     -5.1704   -5.1538        2.5261    2.5287       15.3081   15.2977
 4     15.2924   15.2977       -0.0015    0.0000       -5.1382   -5.1538
 5    -14.6162  -14.6144        5.1909    5.1538        4.9194    4.8831
 6    -15.2941  -15.2977       -4.8837   -4.8831        0.0021    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      4.9973    4.9927       -4.1484   -4.1411      -12.3351  -12.3592
 2     26.0215   26.0171       -1.0716   -1.0658      -12.3504  -12.3592
 3     26.0271   26.0171       -4.1429   -4.1411      -16.1802  -16.2051
 4     -3.0965   -3.0753      -21.0162  -21.0244        7.4635    7.4467
 5     -3.8751   -3.8459       13.9923   13.9885       21.0535   21.0244
 6    -21.4517  -21.4352        3.8710    3.8459        3.1028    3.0753
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.0346   -0.0004    0.0007    0.0008    3.4271    4.8854
 Low frequencies ---   63.1900  107.0311  220.3022
 Diagonal vibrational polarizability:
       48.3094914      33.5599054      29.5400575
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   19436.35
                      1                      2                      3
                      A                      A                      A
 Frequencies --     63.1892               107.0308               220.3022
 Red. masses --      6.2061                 4.8579                 4.3242
 Frc consts  --      0.0146                 0.0328                 0.1236
 IR Inten    --      5.4443                 7.0986                 3.3426
 RamAct Fr= 1--      0.8406                 0.2651                 0.3614
  Dep-P Fr= 1--      0.7493                 0.7096                 0.1527
  Dep-U Fr= 1--      0.8567                 0.8301                 0.2649
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0055
 Beta2  Fr= 1--      0.1200                 0.0367                 0.0160
 AlphaG Fr= 1--     -0.0002                -0.0009                 0.0058
 Gamma2 Fr= 1--      0.3506                 0.0191                 0.0305
 Delta2 Fr= 1--      0.2317                 0.0330                -0.0220
 Raman1 Fr= 1--       3.362                  1.060                  1.445
 ROA1   Fr= 1--      41.072                  2.888                  2.228
 CID1   Fr= 1--      12.215                  2.724                  1.542
 Raman2 Fr= 1--       1.440                  0.440                  0.191
 ROA2   Fr= 1--       6.560                  0.195                  0.909
 CID2   Fr= 1--       4.555                  0.442                  4.748
 Raman3 Fr= 1--       2.880                  0.880                  0.383
 ROA3   Fr= 1--      41.072                  2.888                  2.228
 CID3   Fr= 1--      14.259                  3.282                  5.819
 RC180  Fr= 1--       0.713                  0.660                 -0.470
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.08  -0.08    -0.02   0.08  -0.04     0.11  -0.08   0.11
     2   6    -0.00  -0.07   0.04    -0.01   0.05   0.08     0.02   0.04   0.11
     3   6     0.03  -0.03   0.06    -0.08   0.01  -0.01    -0.05   0.00   0.04
     4   8    -0.15  -0.05  -0.26    -0.14  -0.05  -0.19    -0.05  -0.04  -0.01
     5   8    -0.03   0.24  -0.14     0.28  -0.20  -0.05     0.27   0.19   0.01
     6   7    -0.03  -0.04   0.09     0.06   0.11   0.18    -0.16  -0.10  -0.13
     7   8     0.20  -0.00   0.33    -0.12   0.01   0.02    -0.15  -0.01  -0.06
     8   1    -0.06  -0.13   0.06    -0.02  -0.04   0.10     0.08   0.20   0.07
     9   1     0.06  -0.21  -0.29    -0.18   0.20   0.17     0.21  -0.19  -0.09
    10   1     0.01  -0.18   0.08    -0.08   0.19  -0.34     0.02  -0.25   0.19
    11   1    -0.23  -0.07  -0.30    -0.08  -0.02  -0.10    -0.03  -0.04  -0.04
    12   1    -0.19   0.03   0.18     0.06   0.24   0.18    -0.15  -0.40  -0.12
    13   1     0.14  -0.02   0.19     0.14   0.10   0.26    -0.31  -0.05  -0.30
    14   1    -0.12   0.24  -0.32     0.40  -0.21   0.22     0.28   0.23  -0.06
                      4                      5                      6
                      A                      A                      A
 Frequencies --    296.1839               347.7861               369.7117
 Red. masses --      3.1753                 1.1547                 2.7592
 Frc consts  --      0.1641                 0.0823                 0.2222
 IR Inten    --     22.6250                31.4443                14.3068
 RamAct Fr= 1--      0.4047                 0.2980                 0.4638
  Dep-P Fr= 1--      0.5732                 0.5346                 0.1431
  Dep-U Fr= 1--      0.7287                 0.6967                 0.2504
 Alpha2 Fr= 1--      0.0013                 0.0012                 0.0073
 Beta2  Fr= 1--      0.0491                 0.0346                 0.0194
 AlphaG Fr= 1--      0.0011                 0.0039                 0.0066
 Gamma2 Fr= 1--     -0.0028                -0.2089                -0.1240
 Delta2 Fr= 1--     -0.0529                -0.0569                -0.0451
 Raman1 Fr= 1--       1.619                  1.192                  1.855
 ROA1   Fr= 1--      -1.960                -21.875                -13.349
 CID1   Fr= 1--      -1.211                -18.353                 -7.195
 Raman2 Fr= 1--       0.590                  0.415                  0.232
 ROA2   Fr= 1--       0.356                 -4.558                 -2.615
 CID2   Fr= 1--       0.604                -10.978                -11.259
 Raman3 Fr= 1--       1.180                  0.830                  0.465
 ROA3   Fr= 1--      -1.960                -21.875                -13.349
 CID3   Fr= 1--      -1.662                -26.343                -28.733
 RC180  Fr= 1--       0.457                  0.393                 -0.499
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.13   0.15   0.03    -0.01   0.02   0.01     0.06  -0.12  -0.01
     2   6    -0.02  -0.08   0.08    -0.00  -0.00  -0.02    -0.02   0.02   0.03
     3   6     0.00  -0.06   0.02     0.00  -0.02  -0.01    -0.04   0.02   0.06
     4   8    -0.14   0.12   0.02     0.00   0.01   0.05    -0.15   0.10   0.02
     5   8     0.06   0.05   0.01     0.02  -0.00   0.01    -0.05  -0.04   0.00
     6   7     0.07  -0.15  -0.06    -0.05  -0.01  -0.05     0.24  -0.02  -0.07
     7   8     0.16  -0.07  -0.07     0.01  -0.03  -0.01    -0.07   0.01  -0.01
     8   1    -0.00  -0.01   0.06     0.03   0.01  -0.03    -0.10   0.06   0.04
     9   1    -0.46   0.22   0.17    -0.03   0.03   0.03     0.35  -0.18  -0.13
    10   1    -0.06   0.40  -0.20    -0.01   0.04  -0.02    -0.03  -0.36   0.17
    11   1    -0.32   0.07   0.10    -0.14  -0.04  -0.14    -0.30   0.07   0.08
    12   1     0.18  -0.28  -0.13    -0.56   0.19   0.27     0.25   0.06  -0.08
    13   1    -0.02  -0.08  -0.22     0.63   0.15   0.19     0.45   0.15  -0.14
    14   1     0.01  -0.05   0.19     0.18   0.12  -0.02     0.16   0.18  -0.19
                      7                      8                      9
                      A                      A                      A
 Frequencies --    434.3827               515.5298               555.9972
 Red. masses --      1.1139                 4.3674                 4.2876
 Frc consts  --      0.1238                 0.6839                 0.7809
 IR Inten    --    104.7658                 3.4806                 6.6452
 RamAct Fr= 1--      0.8478                 2.0210                 2.5395
  Dep-P Fr= 1--      0.7459                 0.7019                 0.1098
  Dep-U Fr= 1--      0.8545                 0.8249                 0.1979
 Alpha2 Fr= 1--      0.0001                 0.0017                 0.0434
 Beta2  Fr= 1--      0.1207                 0.2778                 0.0838
 AlphaG Fr= 1--     -0.0001                -0.0090                 0.0097
 Gamma2 Fr= 1--     -0.1935                -0.9737                 0.5583
 Delta2 Fr= 1--     -0.3137                 0.0571                 0.0711
 Raman1 Fr= 1--       3.391                  8.084                 10.158
 ROA1   Fr= 1--     -28.618                -91.648                 55.874
 CID1   Fr= 1--      -8.438                -11.337                  5.500
 Raman2 Fr= 1--       1.449                  3.334                  1.005
 ROA2   Fr= 1--      -2.135                -23.826                 12.831
 CID2   Fr= 1--      -1.473                 -7.146                 12.764
 Raman3 Fr= 1--       2.898                  6.668                  2.010
 ROA3   Fr= 1--     -28.618                -91.648                 55.874
 CID3   Fr= 1--      -9.875                -13.744                 27.792
 RC180  Fr= 1--       0.709                  0.650                 -0.604
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.02   0.00     0.04   0.01   0.06    -0.07  -0.02  -0.02
     2   6    -0.01   0.00   0.01    -0.08   0.07  -0.18    -0.11   0.18   0.19
     3   6     0.01   0.00   0.01    -0.12  -0.16  -0.11     0.05   0.02   0.24
     4   8     0.02  -0.03  -0.02    -0.13  -0.04   0.11    -0.00  -0.17  -0.05
     5   8    -0.05  -0.03   0.02     0.08   0.04   0.06    -0.04  -0.03  -0.04
     6   7    -0.01  -0.00   0.01    -0.03   0.24  -0.01    -0.02   0.10  -0.04
     7   8     0.02   0.00  -0.01     0.17  -0.16   0.01     0.17  -0.02  -0.18
     8   1    -0.02  -0.00   0.01     0.13   0.06  -0.22    -0.41   0.34   0.22
     9   1    -0.08   0.03   0.04     0.36  -0.02  -0.01     0.12  -0.06  -0.10
    10   1    -0.03   0.05  -0.06    -0.07  -0.24   0.19    -0.20  -0.23   0.02
    11   1     0.08  -0.01   0.02    -0.11  -0.03   0.23     0.22  -0.12  -0.09
    12   1     0.07  -0.05  -0.04     0.24   0.37  -0.19    -0.07   0.02   0.00
    13   1    -0.15  -0.04  -0.04    -0.34   0.02   0.06     0.18   0.29  -0.16
    14   1     0.71   0.61  -0.24     0.14   0.09   0.04    -0.21  -0.17   0.03
                     10                     11                     12
                      A                      A                      A
 Frequencies --    603.2116               773.3240               821.4572
 Red. masses --      4.4536                 6.1959                 2.6297
 Frc consts  --      0.9548                 2.1831                 1.0455
 IR Inten    --      5.6899                 7.0967                13.8269
 RamAct Fr= 1--      2.0029                 8.2580                 3.6547
  Dep-P Fr= 1--      0.6183                 0.0619                 0.0382
  Dep-U Fr= 1--      0.7642                 0.1166                 0.0736
 Alpha2 Fr= 1--      0.0048                 0.1586                 0.0742
 Beta2  Fr= 1--      0.2551                 0.1604                 0.0448
 AlphaG Fr= 1--      0.0009                 0.0104                -0.1497
 Gamma2 Fr= 1--      0.5572                -0.0419                -0.0198
 Delta2 Fr= 1--     -0.1891                 0.0890                 0.0292
 Raman1 Fr= 1--       8.012                 33.032                 14.619
 ROA1   Fr= 1--      47.438                 -1.174                 -0.968
 CID1   Fr= 1--       5.921                 -0.036                 -0.066
 Raman2 Fr= 1--       3.061                  1.925                  0.538
 ROA2   Fr= 1--      14.885                 -1.717                 -0.709
 CID2   Fr= 1--       4.863                 -0.892                 -1.318
 Raman3 Fr= 1--       6.122                  3.850                  1.076
 ROA3   Fr= 1--      47.438                 -1.174                 -0.968
 CID3   Fr= 1--       7.749                 -0.305                 -0.900
 RC180  Fr= 1--       0.528                 -0.767                 -0.853
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.27   0.13  -0.14    -0.20  -0.10   0.07    -0.05   0.02   0.03
     2   6     0.21   0.05   0.04    -0.07  -0.01  -0.04     0.06   0.10   0.21
     3   6     0.11  -0.09   0.17     0.33  -0.15   0.12    -0.04  -0.07  -0.19
     4   8    -0.14   0.06   0.02     0.15   0.21  -0.15     0.07   0.05   0.04
     5   8    -0.12  -0.07  -0.04     0.05   0.04   0.02    -0.05  -0.05  -0.09
     6   7    -0.11   0.06  -0.00    -0.04   0.15  -0.03     0.03   0.06   0.00
     7   8    -0.06  -0.13  -0.03    -0.16  -0.22   0.04     0.00  -0.06   0.05
     8   1    -0.02   0.08   0.07    -0.20   0.21  -0.05     0.35  -0.00   0.17
     9   1     0.16   0.20  -0.03    -0.22  -0.13   0.03     0.08  -0.06  -0.12
    10   1     0.37   0.28  -0.16    -0.24  -0.14   0.06    -0.22  -0.21   0.03
    11   1    -0.31   0.01   0.11    -0.34   0.09   0.17    -0.29  -0.08  -0.45
    12   1    -0.25  -0.16   0.10     0.17   0.33  -0.18    -0.12  -0.40   0.12
    13   1    -0.36  -0.11   0.06    -0.00   0.14  -0.00    -0.17   0.16  -0.25
    14   1    -0.06   0.01  -0.18     0.01  -0.02   0.12     0.02  -0.03  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    861.6314               882.8379               937.9882
 Red. masses --      1.6808                 1.5180                 1.2996
 Frc consts  --      0.7352                 0.6971                 0.6737
 IR Inten    --     96.1183                55.0206                71.5987
 RamAct Fr= 1--      0.8542                 4.1470                 1.6727
  Dep-P Fr= 1--      0.7161                 0.3141                 0.1517
  Dep-U Fr= 1--      0.8346                 0.4780                 0.2634
 Alpha2 Fr= 1--      0.0005                 0.0408                 0.0257
 Beta2  Fr= 1--      0.1188                 0.3304                 0.0734
 AlphaG Fr= 1--      0.0088                 0.0524                 0.0202
 Gamma2 Fr= 1--     -0.6331                -0.0323                -0.3154
 Delta2 Fr= 1--     -0.1610                 0.2348                -0.0874
 Raman1 Fr= 1--       3.417                 16.588                  6.691
 ROA1   Fr= 1--     -65.928                  4.416                -33.079
 CID1   Fr= 1--     -19.295                  0.266                 -4.944
 Raman2 Fr= 1--       1.426                  3.965                  0.881
 ROA2   Fr= 1--     -13.906                 -2.652                 -6.871
 CID2   Fr= 1--      -9.753                 -0.669                 -7.798
 Raman3 Fr= 1--       2.852                  7.929                  1.762
 ROA3   Fr= 1--     -65.928                  4.416                -33.079
 CID3   Fr= 1--     -23.120                  0.557                -18.771
 RC180  Fr= 1--       0.669                 -0.044                 -0.473
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.08  -0.02    -0.05  -0.08   0.04    -0.04   0.11  -0.02
     2   6    -0.05   0.08   0.04     0.09  -0.02   0.05    -0.04  -0.01  -0.03
     3   6    -0.00  -0.04  -0.08    -0.02   0.00  -0.02     0.01  -0.00   0.02
     4   8     0.02   0.03  -0.04    -0.04  -0.01  -0.02     0.01   0.02  -0.03
     5   8    -0.02  -0.02  -0.01    -0.01  -0.00  -0.03     0.01  -0.01   0.00
     6   7    -0.08  -0.11   0.05     0.03   0.08  -0.08     0.07  -0.03  -0.02
     7   8     0.00  -0.04   0.04     0.01   0.01   0.02    -0.01  -0.01   0.00
     8   1    -0.07   0.04   0.05     0.23   0.04   0.02    -0.13  -0.08   0.00
     9   1     0.24   0.06  -0.07    -0.29  -0.09   0.06     0.40   0.03  -0.18
    10   1    -0.02  -0.06   0.05    -0.00   0.06  -0.10    -0.19  -0.26   0.25
    11   1     0.24   0.14   0.69     0.37   0.15   0.69     0.12   0.06   0.15
    12   1     0.21   0.00  -0.13    -0.32  -0.05   0.15    -0.39  -0.18   0.27
    13   1     0.40   0.27  -0.15    -0.05  -0.06   0.06    -0.27  -0.34   0.19
    14   1     0.03  -0.00   0.03    -0.05  -0.01  -0.09     0.10  -0.04   0.24
                     16                     17                     18
                      A                      A                      A
 Frequencies --    989.0197              1083.3586              1103.3671
 Red. masses --      2.5433                 1.8270                 2.7186
 Frc consts  --      1.4657                 1.2634                 1.9500
 IR Inten    --     80.8867                18.5533                62.1767
 RamAct Fr= 1--      3.0602                 2.2067                 2.3656
  Dep-P Fr= 1--      0.7494                 0.4460                 0.2696
  Dep-U Fr= 1--      0.8567                 0.6169                 0.4247
 Alpha2 Fr= 1--      0.0000                 0.0137                 0.0265
 Beta2  Fr= 1--      0.4370                 0.2269                 0.1674
 AlphaG Fr= 1--      0.0004                -0.0192                 0.0083
 Gamma2 Fr= 1--      0.1738                 0.2180                 0.0763
 Delta2 Fr= 1--      0.0448                -0.3867                 0.0620
 Raman1 Fr= 1--      12.241                  8.827                  9.462
 ROA1   Fr= 1--      18.117                  8.551                  9.305
 CID1   Fr= 1--       1.480                  0.969                  0.983
 Raman2 Fr= 1--       5.244                  2.723                  2.009
 ROA2   Fr= 1--       3.812                  8.325                  1.335
 CID2   Fr= 1--       0.727                  3.057                  0.664
 Raman3 Fr= 1--      10.487                  5.445                  4.018
 ROA3   Fr= 1--      18.117                  8.551                  9.305
 CID3   Fr= 1--       1.728                  1.570                  2.316
 RC180  Fr= 1--       0.713                  0.234                 -0.151
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.05  -0.17     0.09  -0.02   0.13     0.11   0.07   0.19
     2   6    -0.13  -0.05   0.09    -0.10   0.09  -0.01    -0.11  -0.19   0.04
     3   6    -0.05  -0.03  -0.09    -0.06  -0.03  -0.00     0.01   0.01  -0.01
     4   8     0.05   0.03  -0.02     0.04   0.04  -0.02     0.01  -0.01  -0.01
     5   8     0.04   0.03   0.17    -0.01  -0.01  -0.08    -0.03  -0.02  -0.16
     6   7     0.05   0.08  -0.05     0.06  -0.07   0.01     0.00   0.11  -0.05
     7   8     0.00  -0.03   0.02     0.01  -0.04   0.00    -0.01   0.02   0.00
     8   1    -0.59  -0.28   0.21    -0.15   0.42  -0.06    -0.38  -0.44   0.14
     9   1    -0.11   0.09   0.09    -0.03   0.15   0.42     0.06   0.03   0.13
    10   1     0.15   0.14  -0.30     0.01   0.11  -0.24     0.32   0.22   0.38
    11   1     0.04   0.02   0.04     0.06   0.03  -0.07     0.01  -0.00   0.03
    12   1    -0.23  -0.18   0.14    -0.11   0.11   0.10    -0.01  -0.02  -0.04
    13   1    -0.12   0.08  -0.14    -0.15  -0.35   0.26     0.02   0.24  -0.19
    14   1    -0.17   0.05  -0.24    -0.16   0.01  -0.41     0.17  -0.04   0.22
                     19                     20                     21
                      A                      A                      A
 Frequencies --   1180.1003              1215.7691              1234.6811
 Red. masses --      1.3297                 2.5575                 1.5549
 Frc consts  --      1.0911                 2.2273                 1.3965
 IR Inten    --      3.5797                18.7585                12.9616
 RamAct Fr= 1--      1.5819                 4.9218                 2.0205
  Dep-P Fr= 1--      0.6969                 0.3693                 0.7350
  Dep-U Fr= 1--      0.8214                 0.5394                 0.8473
 Alpha2 Fr= 1--      0.0015                 0.0405                 0.0005
 Beta2  Fr= 1--      0.2166                 0.4425                 0.2853
 AlphaG Fr= 1--     -0.0056                 0.0294                -0.0032
 Gamma2 Fr= 1--      1.4228                -1.4319                 0.2998
 Delta2 Fr= 1--     -0.1711                -0.2030                 0.5660
 Raman1 Fr= 1--       6.328                 19.687                  8.082
 ROA1   Fr= 1--     131.113               -143.960                 46.888
 CID1   Fr= 1--      20.721                 -7.312                  5.802
 Raman2 Fr= 1--       2.599                  5.310                  3.424
 ROA2   Fr= 1--      35.516                -32.742                  2.666
 CID2   Fr= 1--      13.667                 -6.167                  0.779
 Raman3 Fr= 1--       5.197                 10.619                  6.848
 ROA3   Fr= 1--     131.113               -143.960                 46.888
 CID3   Fr= 1--      25.227                -13.557                  6.847
 RC180  Fr= 1--       0.643                  0.079                  0.695
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.01  -0.05    -0.01  -0.01   0.02    -0.01  -0.09   0.01
     2   6     0.03  -0.05   0.10    -0.01   0.03   0.02     0.04   0.14  -0.10
     3   6    -0.07  -0.01  -0.03     0.24   0.02  -0.19    -0.03  -0.01  -0.01
     4   8     0.03   0.02  -0.00    -0.08  -0.12   0.07    -0.01   0.02   0.00
     5   8    -0.01  -0.01   0.01    -0.00   0.01  -0.01    -0.01   0.01  -0.02
     6   7    -0.01  -0.01  -0.05     0.01  -0.02   0.01     0.03  -0.02   0.06
     7   8     0.01  -0.01   0.01    -0.02   0.09   0.01     0.01  -0.04   0.00
     8   1    -0.15   0.45   0.05    -0.46   0.37   0.04    -0.42   0.05   0.00
     9   1    -0.16  -0.16  -0.31    -0.04   0.02   0.07    -0.29  -0.17  -0.10
    10   1     0.18   0.07   0.20    -0.03  -0.01  -0.03     0.35   0.26   0.24
    11   1     0.07   0.02  -0.09    -0.56  -0.20   0.32     0.09   0.03  -0.06
    12   1     0.13   0.45  -0.17    -0.05   0.06   0.03    -0.12  -0.35   0.17
    13   1    -0.02  -0.26   0.27    -0.12  -0.15   0.10     0.00   0.10  -0.13
    14   1     0.14  -0.01   0.30     0.02  -0.00   0.06     0.18  -0.02   0.41
                     22                     23                     24
                      A                      A                      A
 Frequencies --   1304.5257              1381.2243              1397.0290
 Red. masses --      1.6229                 1.2855                 1.2898
 Frc consts  --      1.6272                 1.4449                 1.4831
 IR Inten    --      6.4158                18.2652                42.6163
 RamAct Fr= 1--      5.5744                 4.9644                 0.6074
  Dep-P Fr= 1--      0.4397                 0.7496                 0.7213
  Dep-U Fr= 1--      0.6108                 0.8569                 0.8381
 Alpha2 Fr= 1--      0.0356                 0.0000                 0.0003
 Beta2  Fr= 1--      0.5675                 0.7090                 0.0848
 AlphaG Fr= 1--     -0.0277                -0.0007                 0.0023
 Gamma2 Fr= 1--     -0.7764                 0.5480                 0.1812
 Delta2 Fr= 1--     -0.5354                -1.4830                 0.4474
 Raman1 Fr= 1--      22.298                 19.857                  2.430
 ROA1   Fr= 1--     -91.666                  5.151                 31.713
 CID1   Fr= 1--      -4.111                  0.259                 13.053
 Raman2 Fr= 1--       6.810                  8.508                  1.018
 ROA2   Fr= 1--     -14.351                 25.016                  0.770
 CID2   Fr= 1--      -2.107                  2.940                  0.757
 Raman3 Fr= 1--      13.620                 17.015                  2.036
 ROA3   Fr= 1--     -91.666                  5.151                 31.713
 CID3   Fr= 1--      -6.730                  0.303                 15.575
 RC180  Fr= 1--       0.222                  0.714                  0.676
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.09  -0.01  -0.04    -0.02   0.07   0.02    -0.08  -0.07  -0.07
     2   6    -0.20   0.02   0.01    -0.00  -0.09  -0.04     0.01  -0.05   0.02
     3   6     0.05   0.00   0.03    -0.01  -0.01   0.00    -0.04   0.00   0.01
     4   8     0.01  -0.02  -0.01     0.00   0.00  -0.00     0.03  -0.00  -0.01
     5   8    -0.02   0.00   0.01     0.04  -0.04   0.02     0.00   0.02  -0.02
     6   7     0.04  -0.00   0.01     0.01   0.02   0.05    -0.00   0.01   0.02
     7   8    -0.00   0.01  -0.01    -0.00   0.01  -0.00     0.01   0.01  -0.00
     8   1     0.72   0.09  -0.18    -0.08   0.54  -0.14     0.15   0.33  -0.07
     9   1    -0.29  -0.14  -0.22    -0.09  -0.14  -0.32     0.54   0.28   0.43
    10   1     0.21   0.11   0.02     0.07   0.05   0.28     0.29   0.28   0.15
    11   1    -0.20  -0.06   0.14     0.02   0.01   0.00    -0.20  -0.06   0.12
    12   1    -0.12  -0.07   0.11    -0.07  -0.25   0.12    -0.03  -0.07   0.04
    13   1    -0.09   0.01  -0.07     0.02   0.21  -0.19    -0.00   0.08  -0.07
    14   1     0.08  -0.02   0.24    -0.17   0.02  -0.50     0.06   0.00   0.13
                     25                     26                     27
                      A                      A                      A
 Frequencies --   1403.0479              1424.0577              1494.1842
 Red. masses --      1.2986                 1.5290                 1.0835
 Frc consts  --      1.5062                 1.8269                 1.4253
 IR Inten    --    158.7730               238.1005                 6.9507
 RamAct Fr= 1--      2.2678                 2.7282                 4.5397
  Dep-P Fr= 1--      0.6719                 0.0892                 0.7310
  Dep-U Fr= 1--      0.8038                 0.1637                 0.8446
 Alpha2 Fr= 1--      0.0031                 0.0490                 0.0015
 Beta2  Fr= 1--      0.3038                 0.0744                 0.6390
 AlphaG Fr= 1--     -0.0048                -0.0165                -0.0034
 Gamma2 Fr= 1--      0.9265                 0.2174                 0.0341
 Delta2 Fr= 1--      0.7370                 0.2525                -0.0861
 Raman1 Fr= 1--       9.071                 10.913                 18.159
 ROA1   Fr= 1--     112.530                 28.950                  0.524
 CID1   Fr= 1--      12.405                  2.653                  0.029
 Raman2 Fr= 1--       3.646                  0.893                  7.668
 ROA2   Fr= 1--      16.340                  3.197                  1.508
 CID2   Fr= 1--       4.482                  3.579                  0.197
 Raman3 Fr= 1--       7.291                  1.787                 15.337
 ROA3   Fr= 1--     112.530                 28.950                  0.524
 CID3   Fr= 1--      15.433                 16.204                  0.034
 RC180  Fr= 1--       0.608                 -0.673                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05  -0.01  -0.01    -0.06  -0.01  -0.03     0.04   0.01  -0.07
     2   6    -0.02  -0.09  -0.01    -0.05   0.05   0.04     0.01  -0.00  -0.00
     3   6     0.06   0.02  -0.03     0.12   0.02  -0.05    -0.01  -0.01   0.00
     4   8    -0.06   0.01   0.02    -0.08   0.01   0.04     0.00   0.00  -0.00
     5   8    -0.03   0.03  -0.00     0.03  -0.02   0.00     0.00   0.00  -0.01
     6   7     0.01   0.01   0.03     0.01  -0.02  -0.02    -0.00  -0.00   0.00
     7   8    -0.01  -0.03   0.01    -0.02  -0.04   0.01     0.00   0.00  -0.00
     8   1     0.00   0.41  -0.10     0.17  -0.18   0.05     0.01   0.04  -0.01
     9   1     0.06   0.07   0.14     0.14   0.05   0.04    -0.46   0.29   0.45
    10   1    -0.22  -0.17  -0.36     0.33   0.26   0.40    -0.07  -0.47   0.52
    11   1     0.50   0.16  -0.27     0.53   0.16  -0.31     0.00   0.00   0.00
    12   1    -0.04  -0.12   0.07     0.01   0.17  -0.04     0.00  -0.00   0.00
    13   1     0.03   0.17  -0.15    -0.03  -0.09   0.05     0.01   0.02  -0.02
    14   1     0.12  -0.01   0.36    -0.10   0.01  -0.29     0.01   0.00  -0.02
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1654.2561              1828.2977              3038.4971
 Red. masses --      1.0927                 9.4761                 1.0772
 Frc consts  --      1.7618                18.6627                 5.8598
 IR Inten    --     36.9986               299.7617                 6.7302
 RamAct Fr= 1--      2.7442                11.9471                46.1261
  Dep-P Fr= 1--      0.6876                 0.2482                 0.6398
  Dep-U Fr= 1--      0.8149                 0.3977                 0.7803
 Alpha2 Fr= 1--      0.0030                 0.1423                 0.0918
 Beta2  Fr= 1--      0.3727                 0.7919                 5.9990
 AlphaG Fr= 1--     -0.0025                 0.1111                 0.0059
 Gamma2 Fr= 1--      0.2902                 0.5968                 1.1787
 Delta2 Fr= 1--     -0.0519                -0.1358                 0.9955
 Raman1 Fr= 1--      10.977                 47.788                184.505
 ROA1   Fr= 1--      26.195                 52.951                145.011
 CID1   Fr= 1--       2.386                  1.108                  0.786
 Raman2 Fr= 1--       4.472                  9.502                 71.988
 ROA2   Fr= 1--       7.380                 15.410                 20.325
 CID2   Fr= 1--       1.650                  1.622                  0.282
 Raman3 Fr= 1--       8.944                 19.005                143.977
 ROA3   Fr= 1--      26.195                 52.951                145.011
 CID3   Fr= 1--       2.929                  2.786                  1.007
 RC180  Fr= 1--       0.630                 -0.205                  0.561
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.01     0.01   0.02   0.01    -0.02  -0.01   0.02
     2   6     0.03   0.00  -0.00     0.01  -0.04  -0.00    -0.01  -0.01  -0.07
     3   6    -0.01  -0.00   0.01    -0.04   0.71  -0.07     0.00  -0.00  -0.00
     4   8     0.00   0.00  -0.00     0.03  -0.06  -0.00    -0.00   0.00  -0.00
     5   8     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   7     0.03  -0.06   0.03     0.00  -0.01   0.00     0.00   0.00   0.00
     7   8     0.00   0.00  -0.00     0.03  -0.43   0.04     0.00   0.00  -0.00
     8   1    -0.03  -0.03   0.01     0.00   0.01  -0.01     0.16   0.15   0.86
     9   1     0.00  -0.01  -0.01    -0.06   0.02  -0.01    -0.02   0.29  -0.18
    10   1    -0.02  -0.01  -0.01    -0.08  -0.08   0.01     0.22  -0.17  -0.10
    11   1    -0.02  -0.01   0.03    -0.45  -0.08   0.24    -0.00  -0.00  -0.00
    12   1    -0.28   0.65   0.15    -0.00   0.03  -0.01    -0.01  -0.00  -0.01
    13   1    -0.34   0.22  -0.55    -0.02  -0.02  -0.00     0.00  -0.00  -0.01
    14   1    -0.00  -0.00   0.00    -0.04  -0.01  -0.08    -0.00   0.00   0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   3052.9221              3096.1255              3438.1170
 Red. masses --      1.0630                 1.1094                 1.0639
 Frc consts  --      5.8373                 6.2656                 7.4095
 IR Inten    --     38.6098                19.4046               254.3440
 RamAct Fr= 1--    169.8311                58.5863                70.3726
  Dep-P Fr= 1--      0.0229                 0.7205                 0.0716
  Dep-U Fr= 1--      0.0448                 0.8375                 0.1336
 Alpha2 Fr= 1--      3.5770                 0.0298                 1.3201
 Beta2  Fr= 1--      1.2669                 8.1778                 1.5669
 AlphaG Fr= 1--     -0.2499                 0.0819                 0.0433
 Gamma2 Fr= 1--     -1.0384                -0.8013                -1.0015
 Delta2 Fr= 1--     -2.3077                 1.6254                 0.6610
 Raman1 Fr= 1--     679.325                234.345                281.490
 ROA1   Fr= 1--    -173.530                -24.911                -74.993
 CID1   Fr= 1--      -0.255                 -0.106                 -0.266
 Raman2 Fr= 1--      15.202                 98.134                 18.803
 ROA2   Fr= 1--      -6.460                -32.234                -29.324
 CID2   Fr= 1--      -0.425                 -0.328                 -1.560
 Raman3 Fr= 1--      30.405                196.267                 37.606
 ROA3   Fr= 1--    -173.530                -24.911                -74.993
 CID3   Fr= 1--      -5.707                 -0.127                 -1.994
 RC180  Fr= 1--      -0.910                  0.675                 -0.733
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.05    -0.05   0.08  -0.01     0.00  -0.00  -0.00
     2   6     0.01   0.01   0.04    -0.00   0.00  -0.00     0.00   0.00  -0.00
     3   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.01   0.00
     4   8     0.00  -0.00   0.00    -0.00   0.00   0.00     0.02  -0.06   0.00
     5   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     6   7     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     8   1    -0.08  -0.08  -0.43     0.00  -0.00  -0.00     0.00  -0.00   0.00
     9   1    -0.04   0.58  -0.35     0.03  -0.55   0.34    -0.00  -0.01   0.00
    10   1     0.44  -0.34  -0.20     0.57  -0.42  -0.26     0.00   0.00  -0.00
    11   1     0.00   0.00  -0.00     0.00  -0.01   0.00    -0.26   0.95  -0.07
    12   1     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.07  -0.01  -0.11
    13   1    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.03   0.06   0.05
    14   1    -0.00   0.01   0.00    -0.02   0.01  -0.00     0.00  -0.00  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   3484.1621              3577.8283              3781.8944
 Red. masses --      1.0524                 1.0910                 1.0661
 Frc consts  --      7.5268                 8.2281                 8.9838
 IR Inten    --      7.6458                13.3337                43.9343
 RamAct Fr= 1--     73.4048                56.4543                45.9513
  Dep-P Fr= 1--      0.0650                 0.4673                 0.1143
  Dep-U Fr= 1--      0.1220                 0.6370                 0.2052
 Alpha2 Fr= 1--      1.3991                 0.3223                 0.7767
 Beta2  Fr= 1--      1.4923                 5.9932                 1.5714
 AlphaG Fr= 1--     -0.0558                 0.2579                 0.2036
 Gamma2 Fr= 1--      1.4133                 1.0938                 1.0057
 Delta2 Fr= 1--      0.8038                -2.2058                 0.7066
 Raman1 Fr= 1--     293.619                225.817                183.805
 ROA1   Fr= 1--     161.402                 34.415                119.158
 CID1   Fr= 1--       0.550                  0.152                  0.648
 Raman2 Fr= 1--      17.908                 71.918                 18.857
 ROA2   Fr= 1--      27.490                 43.897                 18.484
 CID2   Fr= 1--       1.535                  0.610                  0.980
 Raman3 Fr= 1--      35.816                143.836                 37.714
 ROA3   Fr= 1--     161.402                 34.415                119.158
 CID3   Fr= 1--       4.506                  0.239                  3.160
 RC180  Fr= 1--      -0.756                  0.274                 -0.590
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     4   8     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   8     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.03  -0.05  -0.02
     6   7    -0.04   0.02  -0.03     0.00  -0.05  -0.06     0.00   0.00   0.00
     7   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     8   1     0.00  -0.00   0.01     0.00   0.00   0.01     0.00   0.00   0.00
     9   1    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.00
    10   1     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.01   0.01   0.00
    11   1    -0.04   0.15  -0.01     0.00  -0.02   0.00    -0.00   0.00   0.00
    12   1     0.45   0.06   0.74     0.26   0.02   0.38    -0.00  -0.00  -0.00
    13   1     0.15  -0.34  -0.27    -0.33   0.65   0.50     0.00  -0.00  -0.00
    14   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.54   0.78   0.30

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  8 and mass  15.99491
 Atom     5 has atomic number  8 and mass  15.99491
 Atom     6 has atomic number  7 and mass  14.00307
 Atom     7 has atomic number  8 and mass  15.99491
 Atom     8 has atomic number  1 and mass   1.00783
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Molecular mass:   105.04259 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   506.68189 760.814481041.61622
           X            0.99945   0.02814  -0.01731
           Y           -0.02800   0.99958   0.00801
           Z            0.01753  -0.00752   0.99982
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.17094     0.11384     0.08315
 Rotational constants (GHZ):           3.56188     2.37212     1.73264
 Zero-point vibrational energy     298785.5 (Joules/Mol)
                                   71.41144 (Kcal/Mol)
 Warning -- explicit consideration of  10 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     90.92   153.99   316.97   426.14   500.39
          (Kelvin)            531.93   624.98   741.73   799.96   867.89
                             1112.64  1181.89  1239.70  1270.21  1349.56
                             1422.98  1558.71  1587.50  1697.90  1749.22
                             1776.43  1876.92  1987.27  2010.01  2018.67
                             2048.90  2149.80  2380.11  2630.51  4371.72
                             4392.47  4454.63  4946.68  5012.93  5147.70
                             5441.30
 
 Zero-point correction=                           0.113801 (Hartree/Particle)
 Thermal correction to Energy=                    0.121169
 Thermal correction to Enthalpy=                  0.122113
 Thermal correction to Gibbs Free Energy=         0.081993
 Sum of electronic and zero-point Energies=           -399.042925
 Sum of electronic and thermal Energies=              -399.035558
 Sum of electronic and thermal Enthalpies=            -399.034614
 Sum of electronic and thermal Free Energies=         -399.074734
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                   76.034             26.353             84.439
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             39.865
 Rotational               0.889              2.981             27.487
 Vibrational             74.257             20.392             17.088
 Vibration     1          0.597              1.972              4.355
 Vibration     2          0.606              1.944              3.322
 Vibration     3          0.647              1.810              1.957
 Vibration     4          0.690              1.681              1.438
 Vibration     5          0.725              1.580              1.176
 Vibration     6          0.742              1.534              1.081
 Vibration     7          0.795              1.395              0.844
 Vibration     8          0.871              1.216              0.620
 Vibration     9          0.911              1.127              0.532
 Vibration    10          0.962              1.025              0.444
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.193178D-37        -37.714042        -86.839791
 Total V=0       0.427474D+15         14.630909         33.688913
 Vib (Bot)       0.201256D-50        -50.696251       -116.732431
 Vib (Bot)    1  0.326676D+01          0.514118          1.183799
 Vib (Bot)    2  0.191477D+01          0.282116          0.649596
 Vib (Bot)    3  0.897760D+00         -0.046840         -0.107853
 Vib (Bot)    4  0.643462D+00         -0.191477         -0.440893
 Vib (Bot)    5  0.531257D+00         -0.274695         -0.632509
 Vib (Bot)    6  0.492531D+00         -0.307566         -0.708197
 Vib (Bot)    7  0.399742D+00         -0.398220         -0.916935
 Vib (Bot)    8  0.314384D+00         -0.502540         -1.157141
 Vib (Bot)    9  0.280626D+00         -0.551871         -1.270731
 Vib (Bot)   10  0.246723D+00         -0.607791         -1.399490
 Vib (V=0)       0.445349D+02          1.648701          3.796274
 Vib (V=0)    1  0.380480D+01          0.580332          1.336265
 Vib (V=0)    2  0.247897D+01          0.394272          0.907845
 Vib (V=0)    3  0.152761D+01          0.184011          0.423701
 Vib (V=0)    4  0.131489D+01          0.118889          0.273752
 Vib (V=0)    5  0.122954D+01          0.089744          0.206643
 Vib (V=0)    6  0.120185D+01          0.079849          0.183858
 Vib (V=0)    7  0.114015D+01          0.056963          0.131161
 Vib (V=0)    8  0.109062D+01          0.037675          0.086750
 Vib (V=0)    9  0.107337D+01          0.030749          0.070802
 Vib (V=0)   10  0.105756D+01          0.024305          0.055963
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.423157D+08          7.626502         17.560670
 Rotational      0.226833D+06          5.355707         12.331970
 
                                                          ROA calculations.
                                                             IR Spectrum
 
     3      3  3 3          333                                        1     1    11111  1 111 11                                    
     7      5  4 4          000                                        8     6    44433  3 221 10  9 9 888 7    6 55  4 33 2 2   1   
     8      7  8 3          953                                        2     5    92098  0 318 08  8 3 862 7    0 51  3 74 9 2   06  
     2      8  4 8          638                                        8     4    44371  5 560 33  9 8 321 3    3 66  4 08 6 0   73  
 
     X      X  X X          XXX                                        X     X    XXXXX  X XXX XX  X X XXX X    X XX  X XX X X   XX  
     X           X           X                                         X     X     XXX         X   X X XX             X  X X         
     X           X           X                                         X           XXX         X   X X XX             X              
                 X                                                     X           XX          X   X X XX             X              
                 X                                                     X           XX              X X  X             X              
                 X                                                     X           XX                   X             X              
                 X                                                     X           XX                                 X              
                 X                                                     X           XX                                                
                 X                                                     X           XX                                                
                 X                                                     X           XX                                                
                 X                                                     X           XX                                                
                 X                                                     X           X                                                 
                 X                                                     X           X                                                 
                 X                                                     X           X                                                 
                 X                                                     X           X                                                 
                 X                                                     X           X                                                 
                 X                                                     X                                                             
                                                                       X                                                             
                                                                       X                                                             
                                                                       X                                                             
 
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000005347   -0.000015151   -0.000030963
      2        6           0.000024133   -0.000000624   -0.000022125
      3        6          -0.000009176    0.000035579    0.000003115
      4        8          -0.000017177    0.000012263    0.000001555
      5        8           0.000000892    0.000007850    0.000030094
      6        7          -0.000000930   -0.000007522   -0.000000191
      7        8           0.000004612   -0.000011958   -0.000000181
      8        1          -0.000007095   -0.000000484    0.000004012
      9        1           0.000001561   -0.000002852    0.000003600
     10        1          -0.000000409    0.000000258   -0.000004125
     11        1           0.000008091   -0.000021923    0.000003150
     12        1          -0.000000170    0.000002120    0.000006210
     13        1           0.000000967   -0.000000688    0.000000993
     14        1           0.000000048    0.000003131    0.000004857
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000035579 RMS     0.000011981
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.613465D+02  0.345797D+00 -0.300595D+01
      2   0.345797D+00  0.647669D+02 -0.116567D+01
      3  -0.300595D+01 -0.116567D+01  0.516261D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.170748D+01  0.778485D+01 -0.536685D+01
      2  -0.129386D+02 -0.433538D+01 -0.134275D+02
      3   0.102499D+02 -0.187012D+01  0.297184D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.146888D+02 -0.603304D+01 -0.177579D+02
      2   0.984075D+01  0.131318D+02 -0.155277D+01
      3   0.484805D+01 -0.709880D+01  0.193106D+02
      4   0.143960D+02 -0.288386D+01 -0.926113D+01
      5   0.138708D+01 -0.103514D+02 -0.289010D+02
      6  -0.444747D+01  0.137463D+02  0.102550D+02
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.270583D+00 -0.346358D+01 -0.102455D+01 -0.414497D+01  0.114237D+01
      2  -0.346358D+01 -0.893599D-01  0.154702D+01  0.114237D+01  0.148037D+01
      3  -0.102455D+01  0.154702D+01  0.102030D+01  0.136250D+01 -0.309171D+01
                 6             7             8             9            10 
      1   0.136250D+01 -0.147758D+01  0.141801D+01  0.256522D+01 -0.126906D+00
      2  -0.309171D+01  0.141801D+01 -0.259659D+01  0.219850D+01  0.359418D+01
      3   0.181673D+01  0.256522D+01  0.219850D+01  0.108737D+01  0.181588D+00
                11            12            13            14            15 
      1   0.359418D+01  0.181588D+00  0.288979D+01 -0.725147D+00 -0.670486D+00
      2   0.260863D+00 -0.980331D+00 -0.725147D+00 -0.201079D+01  0.129882D+01
      3  -0.980331D+00 -0.140171D+01 -0.670486D+00  0.129882D+01 -0.109557D+01
                16            17            18            19            20 
      1   0.905576D+00 -0.273648D-01 -0.115016D+01  0.126748D+01 -0.222767D+01
      2  -0.273648D-01  0.114283D+01 -0.180220D+01 -0.222767D+01  0.293430D+00
      3  -0.115016D+01 -0.180220D+01 -0.551001D+01  0.280460D+00  0.697499D+00
                21            22            23            24            25 
      1   0.280460D+00 -0.795651D+00 -0.180750D+00  0.818360D+00 -0.848793D-01
      2   0.697499D+00 -0.180750D+00  0.630171D+01 -0.611436D+00  0.103267D+01
      3   0.486849D+00  0.818360D+00 -0.611436D+00  0.385298D+00  0.209602D+00
                26            27            28            29            30 
      1   0.103267D+01  0.209602D+00  0.711054D+01  0.109361D+01 -0.161486D+01
      2  -0.122504D+01  0.274746D+00  0.109361D+01  0.181738D+01 -0.351161D+00
      3   0.274746D+00  0.338304D+00 -0.161486D+01 -0.351161D+00  0.133431D+01
                31            32            33            34            35 
      1  -0.199892D+01  0.324764D+01  0.282942D+00 -0.154874D+01 -0.440241D+00
      2   0.324764D+01 -0.229500D+01 -0.499883D+00 -0.440241D+00  0.803234D-01
      3   0.282942D+00 -0.499883D+00  0.921553D-01  0.206907D+01  0.875923D+00
                36            37            38            39            40 
      1   0.206907D+01 -0.324670D+01  0.284758D+00 -0.146897D+01  0.180441D+01
      2   0.875923D+00  0.284758D+00 -0.184206D+01 -0.960643D+00 -0.155728D+01
      3  -0.238176D+01 -0.146897D+01 -0.960643D+00 -0.190044D+01 -0.862214D+00
                41            42            43            44            45 
      1  -0.155728D+01 -0.862214D+00 -0.134872D+01 -0.151369D+01 -0.285345D+01
      2   0.179527D+01  0.397707D+00 -0.151369D+01  0.171653D+00 -0.705109D+00
      3   0.397707D+00  0.134380D+01 -0.285345D+01 -0.705109D+00 -0.354238D+01
                46            47            48            49            50 
      1   0.103115D+01 -0.886511D+00  0.435193D+00 -0.571967D+00  0.257197D+01
      2  -0.886511D+00  0.293230D+01  0.477419D+00  0.257197D+01  0.230856D+01
      3   0.435193D+00  0.477419D+00  0.247203D+01  0.558883D+00 -0.241505D+01
                51            52            53            54            55 
      1   0.558883D+00  0.322324D+00  0.676848D+00  0.231600D+01  0.252514D+00
      2  -0.241505D+01  0.676848D+00 -0.276441D+01  0.104845D+00 -0.271119D+01
      3   0.217307D+00  0.231600D+01  0.104845D+00  0.126150D+01  0.333283D+00
                56            57            58            59            60 
      1  -0.271119D+01  0.333283D+00 -0.351388D+01  0.103184D+01 -0.132810D+00
      2   0.126183D+01 -0.540314D+00  0.103184D+01 -0.136102D+02  0.930485D+00
      3  -0.540314D+00 -0.213393D-01 -0.132810D+00  0.930485D+00 -0.248345D+01
                61            62            63            64            65 
      1   0.586136D+00 -0.428535D+00  0.311995D+00  0.607891D+00 -0.176845D+00
      2  -0.428535D+00  0.650647D+00 -0.304308D+01 -0.176845D+00  0.327686D+00
      3   0.311995D+00 -0.304308D+01  0.863341D+00  0.137658D+01  0.391586D+00
                66            67            68            69            70 
      1   0.137658D+01 -0.295328D+00  0.307039D+00  0.335672D+00  0.171878D+01
      2   0.391586D+00  0.307039D+00  0.143686D+01  0.126462D+01  0.143496D+00
      3   0.980566D+00  0.335672D+00  0.126462D+01  0.969615D+00  0.833446D+00
                71            72            73            74            75 
      1   0.143496D+00  0.833446D+00  0.176322D+00 -0.516262D+00  0.843897D+00
      2   0.173286D+01  0.155862D+01 -0.516262D+00 -0.355117D+00 -0.411041D-01
      3   0.155862D+01  0.847103D+01  0.843897D+00 -0.411041D-01  0.528584D-01
                76            77            78            79            80 
      1  -0.132035D+01 -0.115063D+01  0.398659D+00  0.110558D+01  0.395287D+00
      2  -0.115063D+01 -0.527209D+01  0.268741D+01  0.395287D+00  0.245483D+01
      3   0.398659D+00  0.268741D+01 -0.303266D+01 -0.673053D+00 -0.242954D+01
                81            82            83            84            85 
      1  -0.673053D+00 -0.588172D+01  0.186262D+01  0.195316D+01  0.334590D+01
      2  -0.242954D+01  0.186262D+01 -0.151902D+01 -0.754008D+00 -0.182945D+01
      3   0.329785D+01  0.195316D+01 -0.754008D+00 -0.195430D+01 -0.105774D+01
                86            87            88            89            90 
      1  -0.182945D+01 -0.105774D+01  0.192706D+01 -0.561478D+00 -0.195544D+01
      2   0.202803D+01  0.133672D+01 -0.561478D+00  0.106838D+01  0.651586D+00
      3   0.133672D+01  0.126421D+01 -0.195544D+01  0.651586D+00  0.163531D+01
                91            92            93            94            95 
      1  -0.436750D+00  0.181491D+01  0.202857D+00  0.420492D+01 -0.592583D+00
      2   0.181491D+01 -0.484568D+00 -0.176406D+00 -0.592583D+00  0.481398D+01
      3   0.202857D+00 -0.176406D+00  0.302714D+00 -0.860224D+00 -0.513948D+00
                96            97            98            99           100 
      1  -0.860224D+00 -0.583471D-01 -0.246392D+00  0.630986D+00 -0.122658D+01
      2  -0.513948D+00 -0.246392D+00 -0.442087D+00  0.537953D+00  0.581370D+00
      3   0.109806D+01  0.630986D+00  0.537953D+00 -0.809361D+00 -0.143661D+01
               101           102           103           104           105 
      1   0.581370D+00 -0.143661D+01  0.171059D+00 -0.618567D+00  0.116589D+00
      2  -0.135048D+01  0.517591D+00 -0.618567D+00  0.170452D+00 -0.533134D+00
      3   0.517591D+00 -0.201598D+01  0.116589D+00 -0.533134D+00  0.139951D+00
               106           107           108           109           110 
      1  -0.259927D+01  0.232798D+00 -0.180688D+01 -0.795258D+00  0.151446D+01
      2   0.232798D+00 -0.205620D+01  0.104208D+01  0.151446D+01 -0.267345D+01
      3  -0.180688D+01  0.104208D+01 -0.432774D+01  0.305399D+00 -0.601574D+00
               111           112           113           114           115 
      1   0.305399D+00  0.220521D+01 -0.232084D+01 -0.731615D+00  0.113014D+01
      2  -0.601574D+00 -0.232084D+01  0.638073D+01  0.164884D+01 -0.104937D+01
      3  -0.689200D+00 -0.731615D+00  0.164884D+01  0.152614D+01 -0.783842D+00
               116           117           118           119           120 
      1  -0.104937D+01 -0.783842D+00  0.153862D+01 -0.763837D+00 -0.367425D+00
      2   0.332036D+01  0.175130D+01 -0.763837D+00  0.142056D+01  0.774427D+00
      3   0.175130D+01  0.157724D+01 -0.367425D+00  0.774427D+00  0.133336D+01
               121           122           123           124           125 
      1  -0.198022D+01  0.674379D+00  0.441484D+00 -0.578051D+00  0.367963D+00
      2   0.674379D+00 -0.352784D+01 -0.189944D+01  0.367963D+00 -0.153756D+01
      3   0.441484D+00 -0.189944D+01 -0.224158D+01  0.286513D+00 -0.101562D+01
               126 
      1   0.286513D+00
      2  -0.101562D+01
      3  -0.196067D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.536187D+01 -0.101357D+01  0.189063D+01 -0.804595D-01 -0.614542D+00
      2   0.716373D+01  0.295045D+01  0.143453D+01  0.526019D+01  0.482712D+01
      3  -0.694727D+01  0.303566D+00  0.303328D+01  0.680563D+01  0.552467D+01
                 6             7             8             9            10 
      1  -0.451410D+01  0.149649D+01 -0.294896D+01  0.355782D+01  0.442884D+01
      2  -0.428358D+01 -0.215820D+01 -0.396493D+01 -0.232974D+01 -0.376196D+01
      3  -0.549772D+01  0.134031D+01 -0.451334D+01  0.267089D+01  0.144746D+01
                11            12            13            14            15 
      1   0.763300D+00  0.584636D-01  0.589728D+00 -0.690896D+00  0.100347D+01
      2  -0.335924D+01  0.254588D+01 -0.582051D+01 -0.211506D+01 -0.782488D+00
      3  -0.431732D+01 -0.121493D+01  0.159022D+01  0.151033D+01  0.122475D+01
                16            17            18            19            20 
      1   0.671423D+00  0.584796D+01 -0.707317D+00 -0.117303D+01  0.275659D+01
      2  -0.249999D+01 -0.112965D+01 -0.485443D+00 -0.908125D+01  0.162847D+01
      3   0.213220D+01  0.172122D+01 -0.666835D+00  0.467245D+01 -0.398221D+01
                21            22            23            24            25 
      1   0.610307D+00  0.334388D+01  0.159556D+01  0.788912D+01 -0.150973D+01
      2  -0.242464D+01 -0.150481D+01  0.117310D+01  0.164138D+01 -0.158390D+02
      3  -0.216494D+00 -0.569895D+01 -0.867391D+01 -0.254447D+01  0.374547D-01
                26            27            28            29            30 
      1   0.825896D+01 -0.172806D+01  0.124731D+01 -0.344345D+01 -0.234199D+01
      2   0.290162D+01  0.704586D+01  0.141627D+01 -0.161314D+01  0.715298D+01
      3  -0.286394D+01  0.397097D-01  0.263848D+01 -0.120539D+02  0.348859D+00
                31            32            33            34            35 
      1  -0.286243D+01  0.343153D+01 -0.345042D+01  0.341061D+00  0.275859D+01
      2  -0.180190D+01  0.102386D+01 -0.413259D+00  0.499727D+01 -0.481124D+00
      3  -0.774630D+01  0.123078D+02  0.113754D+01 -0.568986D+00  0.232976D+01
                36            37            38            39            40 
      1   0.782087D+00 -0.137540D+01  0.309278D+01 -0.181544D+01  0.803041D+00
      2  -0.573935D+01 -0.461103D+00  0.373233D+01  0.996441D+01  0.214262D+01
      3  -0.155540D+01  0.478580D+01 -0.774523D+01 -0.256922D+01 -0.323472D+01
                41            42            43            44            45 
      1  -0.421884D+01 -0.448032D+01 -0.215094D+00  0.439629D+01 -0.472181D+01
      2  -0.182332D+01 -0.190669D+01 -0.880095D+00  0.119097D-01  0.747497D+01
      3   0.448643D+01  0.114604D+01 -0.112268D+01 -0.287135D+00  0.528322D+00
                46            47            48            49            50 
      1  -0.153361D+01 -0.261691D+01 -0.544452D+01 -0.303277D+01  0.825640D+01
      2   0.635695D+00 -0.172179D+01  0.495066D+01  0.830427D+00  0.269896D+00
      3   0.224721D+01 -0.840786D+01  0.246303D+01  0.274339D+01  0.398663D+01
                51            52            53            54            55 
      1  -0.430597D+01 -0.628478D+01  0.499053D+01 -0.169672D+01  0.154391D+00
      2   0.748412D+00 -0.236786D+01  0.120120D+01  0.437230D+00  0.186319D+01
      3   0.155251D+01  0.924819D+00  0.263926D+01  0.518893D+01  0.187063D+01
                56            57            58            59            60 
      1   0.117997D+00  0.135464D+01  0.501309D+00 -0.216034D+01 -0.115208D+02
      2  -0.790599D+00  0.311645D+01  0.305678D+01 -0.341220D+00 -0.369694D+01
      3  -0.205558D+01  0.521703D+00  0.133887D+02  0.150452D+02 -0.438418D+00
                61            62            63            64            65 
      1   0.699774D+00  0.512365D+00  0.467547D+00 -0.900409D+00  0.161167D+00
      2   0.590415D+00 -0.460167D+01 -0.643710D+00 -0.270314D+00 -0.173342D-01
      3   0.366396D+00 -0.238998D-01  0.399306D+01  0.961529D-01 -0.647004D+00
                66            67            68            69            70 
      1  -0.277288D+00 -0.100029D+00  0.161027D+01 -0.351028D+00 -0.252039D+00
      2  -0.547869D+00  0.566322D+00 -0.322191D+00 -0.129549D+00 -0.358830D+01
      3   0.887126D+00  0.119183D+01  0.130563D+00  0.227189D+00  0.825990D+00
                71            72            73            74            75 
      1   0.306839D+01 -0.235238D+01 -0.113178D+00 -0.950221D-01 -0.174682D-01
      2  -0.469029D+00 -0.216008D+01 -0.234582D+01  0.167101D+00 -0.452174D+00
      3  -0.477670D-01  0.602143D+00 -0.126328D+01 -0.422531D+00 -0.415992D+00
                76            77            78            79            80 
      1  -0.759796D+00 -0.526290D+01 -0.813818D+00  0.195452D+00  0.281637D+01
      2   0.155356D+01 -0.332777D+01  0.471988D+01 -0.183900D+01  0.320403D+01
      3   0.149633D+01 -0.925024D+01  0.448592D+01 -0.644296D+00  0.410929D+01
                81            82            83            84            85 
      1  -0.118585D+00  0.214041D+01 -0.190325D+01 -0.182648D+00 -0.145807D+01
      2  -0.446231D+01  0.221380D+01 -0.376029D+00  0.343415D+01 -0.199434D+01
      3  -0.396465D+01  0.404786D+01 -0.530889D+01 -0.191798D+01 -0.214561D+01
                86            87            88            89            90 
      1   0.224370D+01  0.266940D+00 -0.707439D+00  0.238007D+01  0.332898D+00
      2  -0.672825D+00 -0.214984D+01  0.447963D+00 -0.510941D+00 -0.123516D+01
      3   0.462170D+01  0.261340D+01 -0.109590D+01  0.254932D+01  0.129467D+01
                91            92            93            94            95 
      1  -0.162710D+01  0.256920D+01 -0.123944D+01  0.269942D+01 -0.435805D+01
      2  -0.174834D+01  0.152935D+01 -0.857665D+00  0.162666D+01 -0.280372D+01
      3  -0.353163D+01  0.683079D+01  0.439668D+00  0.990906D+01 -0.171423D+02
                96            97            98            99           100 
      1  -0.475080D+00 -0.957883D+00  0.141811D+01  0.583206D+00  0.334303D+01
      2   0.270788D+01 -0.165194D+01  0.156061D+01 -0.110903D+00 -0.125348D+01
      3   0.302046D+00 -0.269701D-01 -0.436947D+00  0.252852D+00 -0.289033D+01
               101           102           103           104           105 
      1   0.216909D+00  0.512276D+01  0.727920D+00  0.176231D+01 -0.269502D+00
      2   0.434836D-01  0.729284D-01 -0.588474D+00 -0.930104D+00 -0.397768D+00
      3  -0.360992D+00 -0.300133D+01  0.294329D+00 -0.164598D+01  0.148862D+00
               106           107           108           109           110 
      1   0.478369D+01  0.150903D+00  0.883487D+01 -0.491190D+00  0.174835D+01
      2  -0.258376D+01 -0.538929D+00  0.228639D+00  0.379695D+00  0.724548D-01
      3  -0.626804D+01 -0.383153D+00 -0.398887D+01 -0.215275D+01  0.200112D+01
               111           112           113           114           115 
      1   0.215014D+01  0.264929D+01 -0.403999D+01 -0.476741D+01  0.213528D+01
      2   0.396625D+00 -0.294606D+00  0.775498D-03 -0.555150D+00 -0.960384D+00
      3   0.553425D+00  0.648793D+01 -0.392234D+01 -0.196161D+01  0.329883D+01
               116           117           118           119           120 
      1  -0.324404D+01 -0.380508D+01  0.126181D+01 -0.235408D+01  0.131857D+00
      2   0.387198D-01 -0.414244D+00  0.374630D+01 -0.282840D+01 -0.297313D+01
      3  -0.182989D+01 -0.189633D+01 -0.519339D+01  0.378271D+01  0.167175D+01
               121           122           123           124           125 
      1  -0.151746D+01  0.302868D+01 -0.242334D-01 -0.223606D+00  0.197774D+01
      2  -0.303193D+01  0.504147D+01  0.449772D+01 -0.233979D+01  0.260542D+01
      3   0.559081D+01 -0.680577D+01 -0.389941D+01  0.800875D+00 -0.296278D+01
               126 
      1  -0.113867D-01
      2   0.389761D+01
      3  -0.249849D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.715673D+01  0.109932D+02  0.667489D+01  0.132023D+02  0.608676D+00
      2   0.249600D+01 -0.806299D+01 -0.231362D+01 -0.940278D+01 -0.203396D+00
      3   0.466073D+01 -0.293022D+01 -0.436127D+01 -0.379956D+01 -0.405280D+00
      4   0.128521D+02 -0.236109D+01 -0.625325D+01 -0.422664D+01 -0.210771D+01
      5   0.557335D+01 -0.898798D+01 -0.691287D+01 -0.114413D+02  0.108305D+02
      6  -0.359741D+01 -0.435675D-01  0.953238D+00  0.307735D+01  0.723215D+01
                 6             7             8             9            10 
      1  -0.970029D+01  0.238035D+01 -0.826353D+01 -0.496664D+01 -0.285291D+01
      2   0.713067D+01 -0.296500D+01  0.148677D+01  0.294055D+01  0.644091D+01
      3   0.256962D+01  0.584643D+00  0.677676D+01  0.202609D+01 -0.358800D+01
      4   0.899222D+01 -0.943913D+01  0.532816D+01 -0.500374D+01 -0.218172D+01
      5  -0.375352D+01 -0.158549D+02 -0.566392D+01 -0.161157D+01 -0.322728D+00
      6  -0.889888D+01 -0.172343D+01 -0.114788D+02  0.322193D+01  0.275285D+00
                11            12            13            14            15 
      1  -0.122228D+01  0.348597D+01 -0.458944D+01  0.389479D+01  0.141994D+01
      2   0.187475D+01  0.244388D+01  0.294375D+01 -0.649779D+01  0.248946D+01
      3  -0.652474D+00 -0.592985D+01  0.164568D+01  0.260299D+01 -0.390940D+01
      4   0.459185D+01  0.459240D+00 -0.461490D+01 -0.278895D+01 -0.306245D+00
      5   0.255831D+01  0.234338D+01  0.522780D+01 -0.130218D+01 -0.137181D+01
      6  -0.184585D+01 -0.234181D+01 -0.495119D+00  0.111653D+01 -0.281584D+01
                16            17            18            19            20 
      1  -0.952255D+00 -0.213325D-01  0.123617D+02 -0.713217D+01 -0.655779D+01
      2   0.244054D+01  0.102405D+02  0.930773D+01  0.216968D+01  0.575217D+01
      3  -0.148829D+01 -0.102192D+02 -0.216694D+02  0.496249D+01  0.805614D+00
      4   0.405172D+01 -0.185635D+01 -0.732342D+00 -0.483440D+01 -0.241130D+01
      5   0.196354D+00  0.116392D+01 -0.115616D+01  0.445354D+01  0.229131D+01
      6  -0.714854D+00 -0.239955D+01 -0.906602D+01  0.630227D+00 -0.120113D+00
                21            22            23            24            25 
      1  -0.100175D+01 -0.219281D+01  0.140336D+02 -0.181016D+01  0.641263D+01
      2  -0.679124D+01  0.495678D+01 -0.257738D+02 -0.266079D+01 -0.628803D+01
      3   0.779299D+01 -0.276397D+01  0.117403D+02  0.447095D+01 -0.124597D+00
      4   0.177175D+01 -0.154677D+02  0.183759D+02 -0.221697D+01  0.504261D+01
      5  -0.381230D+01  0.271900D+01 -0.524521D+01  0.674900D+00  0.167264D+01
      6  -0.144520D+01 -0.186256D+01  0.341399D+01 -0.119629D+02  0.179436D+01
                26            27            28            29            30 
      1   0.239341D+01 -0.267367D+01  0.423028D+02  0.498405D+01 -0.459209D+01
      2  -0.374396D+00 -0.359181D+01 -0.270415D+02 -0.998885D+00  0.724452D+01
      3  -0.201902D+01  0.626548D+01 -0.152613D+02 -0.398516D+01 -0.265243D+01
      4   0.198141D+01  0.191916D+01  0.115600D+02  0.114118D+02 -0.194388D+01
      5   0.101389D+01  0.719602D+01 -0.888236D+01 -0.113822D+01  0.141105D+02
      6   0.239821D+01  0.298321D+01 -0.330511D+00 -0.988914D+00  0.320218D+01
                31            32            33            34            35 
      1  -0.464686D+01  0.787751D+01  0.157603D+01 -0.486501D+01 -0.108624D+01
      2   0.550344D+01 -0.323036D+01 -0.337195D+00  0.591113D+01  0.538068D+00
      3  -0.856578D+00 -0.464715D+01 -0.123884D+01 -0.104613D+01  0.548176D+00
      4   0.131741D+02 -0.153329D+01 -0.167060D+01 -0.373657D+01 -0.168742D+01
      5   0.138269D+01 -0.204521D+01  0.477446D+00  0.136864D+02  0.371774D+01
      6  -0.171944D+01  0.930365D+00  0.703416D+01  0.461911D+00  0.469945D+01
                36            37            38            39            40 
      1   0.403393D+01  0.200311D+02 -0.395471D+01  0.128505D+01 -0.649961D+01
      2  -0.108340D+02 -0.118653D+02  0.478865D+01 -0.372317D+01  0.615398D+01
      3   0.680011D+01 -0.816579D+01 -0.833936D+00  0.243812D+01  0.345623D+00
      4   0.272838D+01  0.442201D+01  0.962831D+01  0.331252D+01  0.864548D+01
      5  -0.118390D+02  0.104387D+02  0.205133D+01  0.125812D+02  0.231509D+01
      6  -0.162100D+01  0.458377D-01  0.664601D+01  0.521731D+01  0.371582D+01
                41            42            43            44            45 
      1   0.655134D+01  0.404238D+01  0.503645D+01  0.522477D+01  0.144377D+01
      2  -0.142643D+01 -0.312796D+01 -0.438921D+01 -0.170345D+01 -0.137567D+02
      3  -0.512490D+01 -0.914419D+00 -0.647237D+00 -0.352131D+01  0.123130D+02
      4  -0.958095D+00  0.868505D+00  0.722141D+01  0.227872D+01  0.366309D+01
      5   0.188964D+01 -0.185075D+01  0.180279D+02  0.421358D+01  0.164864D+02
      6  -0.407134D+01  0.249666D+01  0.442324D+01  0.707595D+01  0.271019D+01
                46            47            48            49            50 
      1   0.116892D+02 -0.740954D+01 -0.220226D+01 -0.485121D+01 -0.981316D+01
      2  -0.813497D+01  0.127050D+02  0.436870D+01  0.106476D+02  0.130214D+02
      3  -0.355425D+01 -0.529542D+01 -0.216643D+01 -0.579636D+01 -0.320826D+01
      4   0.167725D+01 -0.226681D+01  0.215885D+01  0.282193D+01  0.107520D+02
      5  -0.216035D+01 -0.545257D+00  0.936476D+00 -0.151481D+01  0.209742D+01
      6   0.186267D+01  0.319331D+01  0.954631D+01  0.285220D+01 -0.136179D+02
                51            52            53            54            55 
      1   0.643292D+01 -0.355507D+01  0.785440D+01 -0.204922D+01  0.478824D+01
      2  -0.107195D+02  0.678464D+01 -0.150995D+02 -0.246291D+00  0.177194D+01
      3   0.428659D+01 -0.322957D+01  0.724511D+01  0.229551D+01 -0.656017D+01
      4   0.214300D+01  0.135457D+01  0.359865D+01  0.894110D+01 -0.957087D+01
      5   0.138010D+01  0.227675D+01  0.192187D+01 -0.347015D+01  0.244669D+01
      6   0.491397D+01  0.924692D+01  0.132439D+01  0.188994D+01 -0.116923D+01
                56            57            58            59            60 
      1  -0.462124D+01 -0.288678D-01 -0.574688D+01 -0.289260D+02  0.346313D+01
      2  -0.305406D+00  0.111313D+01 -0.127511D+01  0.514233D+02 -0.118885D+01
      3   0.492664D+01 -0.108426D+01  0.702199D+01 -0.224973D+02 -0.227428D+01
      4   0.157148D+02 -0.186415D+01  0.196898D+02 -0.332784D+02  0.405619D+01
      5  -0.282258D+01  0.545287D+01 -0.162147D+01  0.778227D+01 -0.636743D+01
      6   0.170144D+01 -0.208317D+01  0.278205D+01 -0.523504D+01  0.169408D+02
                61            62            63            64            65 
      1   0.491641D+00  0.974321D+00 -0.647257D+01  0.100086D+00 -0.122101D+01
      2   0.132786D+01 -0.655015D+00  0.384543D+01 -0.375061D+01  0.416362D+00
      3  -0.181950D+01 -0.319306D+00  0.262714D+01  0.365052D+01  0.804652D+00
      4  -0.172894D+01  0.209414D+01 -0.795435D+01  0.696911D+00  0.213774D+01
      5   0.578954D+01 -0.848058D+01  0.286473D+01  0.129727D+01  0.116215D+01
      6  -0.255174D+01  0.146060D+02 -0.304999D+01  0.206353D+01  0.151825D+01
                66            67            68            69            70 
      1  -0.236978D+01 -0.225354D+00 -0.499325D+01 -0.285103D+01 -0.152003D+01
      2  -0.172444D+01 -0.448794D+00  0.109253D+01  0.764381D+00 -0.887786D+00
      3   0.409422D+01  0.674147D+00  0.390072D+01  0.208665D+01  0.240782D+01
      4   0.183906D+01  0.244980D+01  0.201043D+00  0.371183D+00  0.729723D+00
      5   0.671166D+01  0.468574D+00  0.608540D+00  0.375001D+00  0.569551D+01
      6   0.169691D+01  0.124632D+01  0.374383D+01  0.830003D+01  0.959285D+00
                71            72            73            74            75 
      1  -0.466114D+01 -0.197485D+02  0.999912D+00  0.167675D+01 -0.357072D+01
      2  -0.864984D+00 -0.167130D+02  0.128977D+00 -0.244461D-01  0.150802D+01
      3   0.552612D+01  0.364615D+02 -0.112889D+01 -0.165230D+01  0.206270D+01
      4   0.599713D+00  0.113261D+01  0.162358D+01  0.405006D+01 -0.148304D+01
      5   0.626998D-01  0.156667D+01 -0.305800D+01 -0.126830D+01  0.279220D+01
      6   0.782066D+01  0.132981D+02 -0.229986D+01 -0.439260D+00 -0.482851D-02
                76            77            78            79            80 
      1   0.287343D+01 -0.668201D+01  0.584050D+01 -0.261164D+01  0.488110D+01
      2  -0.956850D+00  0.919641D+01 -0.267025D+01  0.217281D+01 -0.108796D+01
      3  -0.191658D+01 -0.251440D+01 -0.317025D+01  0.438837D+00 -0.379314D+01
      4   0.727658D+01  0.153785D+02 -0.784390D+01 -0.237803D+01 -0.638027D+01
      5  -0.375429D+01 -0.918858D+01  0.101248D+02  0.556025D+01  0.779083D+01
      6  -0.262487D+01 -0.147959D+02  0.123822D+02  0.165568D+01  0.111453D+02
                81            82            83            84            85 
      1  -0.619712D+01  0.298737D+02 -0.813363D+01 -0.811579D+01 -0.130018D+02
      2  -0.175431D+01 -0.177248D+02  0.419155D+01  0.698824D+01  0.731580D+01
      3   0.795143D+01 -0.121488D+02  0.394208D+01  0.112755D+01  0.568603D+01
      4   0.632932D+01 -0.103315D+02  0.895760D+01  0.409247D+01  0.109849D+02
      5  -0.100928D+02 -0.159861D+02  0.559899D+01  0.125585D+02  0.859092D+01
      6  -0.116030D+02  0.277238D+01 -0.263595D+01 -0.116169D+01 -0.335115D+01
                86            87            88            89            90 
      1   0.533487D+01  0.346275D+01 -0.663850D+01  0.154460D+01  0.475846D+01
      2  -0.132929D+01 -0.365162D+01  0.669202D+01 -0.190400D+01 -0.669501D+01
      3  -0.400559D+01  0.188867D+00 -0.535143D-01  0.359396D+00  0.193654D+01
      4  -0.106929D+02 -0.588853D+01  0.342063D+01 -0.417553D+01 -0.387535D+01
      5  -0.699954D+01 -0.729738D+01  0.129452D+02 -0.445322D+01 -0.997299D+01
      6   0.303921D+01  0.395384D+01 -0.179896D+01  0.408892D+01  0.244166D+01
                91            92            93            94            95 
      1  -0.639870D+01  0.280913D+01  0.619564D+00  0.134607D+02 -0.450776D+01
      2   0.706406D+01 -0.134146D-01 -0.132236D+01 -0.870583D+01  0.695344D+01
      3  -0.665360D+00 -0.279572D+01  0.702796D+00 -0.475484D+01 -0.244567D+01
      4   0.478726D+01  0.187592D+01 -0.167179D+00  0.565357D+01  0.138686D+02
      5   0.165117D+01 -0.100010D+01 -0.103824D+01 -0.365213D+01 -0.104096D+01
      6  -0.539057D+00 -0.265555D+00  0.229428D+01 -0.111443D+01 -0.342840D+01
                96            97            98            99           100 
      1  -0.122677D+01  0.123593D+01  0.740316D+00 -0.928095D+00  0.125771D+01
      2   0.126484D+01 -0.748400D+00 -0.440744D+00 -0.279337D+00 -0.678453D+00
      3  -0.380743D-01 -0.487526D+00 -0.299572D+00  0.120743D+01 -0.579253D+00
      4  -0.295739D+01 -0.751507D+00 -0.178759D+01  0.255547D+01 -0.440990D+01
      5   0.490082D+01  0.229819D+01  0.207076D+01 -0.145090D+01  0.403775D+01
      6   0.134767D+01  0.149540D+01  0.246904D+01 -0.193177D+01 -0.444759D+01
               101           102           103           104           105 
      1   0.233924D+01  0.254736D+00  0.568849D+00 -0.439711D+00  0.937863D+00
      2  -0.411416D+01 -0.148442D+01 -0.173622D+01  0.143962D+01 -0.178825D+01
      3   0.177492D+01  0.122968D+01  0.116737D+01 -0.999904D+00  0.850386D+00
      4   0.536199D+01 -0.475694D+01  0.330723D+01 -0.129190D+01  0.146322D+01
      5  -0.120558D+01  0.475909D+01 -0.388787D+00  0.160334D+01 -0.902212D+00
      6   0.270899D+01 -0.801278D+01  0.158782D+01 -0.123585D+01  0.227393D+01
               106           107           108           109           110 
      1   0.934187D+00  0.379730D+01 -0.338139D+01 -0.992571D+00  0.516627D+01
      2  -0.275419D+01 -0.538391D+01 -0.383520D+01  0.481833D+01 -0.121936D+02
      3   0.182000D+01  0.158661D+01  0.721659D+01 -0.382576D+01  0.702729D+01
      4  -0.815900D+01  0.385674D+01 -0.693742D+01 -0.529519D+01  0.995923D+01
      5   0.472758D+01 -0.224974D+01  0.705880D+01 -0.142811D+01  0.166287D+01
      6  -0.673157D+01  0.482753D+01 -0.146305D+02  0.263896D+01 -0.476165D+01
               111           112           113           114           115 
      1   0.104700D+01  0.385176D+01 -0.157085D+02 -0.449693D+01  0.177348D+01
      2  -0.228818D+01 -0.969279D+01  0.309042D+02  0.824739D+01 -0.367794D+01
      3   0.124118D+01  0.584103D+01 -0.151958D+02 -0.375046D+01  0.190446D+01
      4   0.220653D+01  0.105178D+02 -0.135058D+02 -0.427725D+01  0.436917D+01
      5   0.258976D+01  0.663312D+00 -0.222155D+01 -0.150269D+01  0.242453D+01
      6  -0.369584D+01 -0.474885D+01  0.123175D+02  0.852251D+01 -0.436631D+01
               116           117           118           119           120 
      1  -0.833777D+01 -0.542042D+01 -0.471426D+01  0.561261D+01  0.450612D+01
      2   0.137474D+02  0.613501D+01  0.340804D+01 -0.424612D+01 -0.201509D+01
      3  -0.540966D+01 -0.714589D+00  0.130622D+01 -0.136650D+01 -0.249103D+01
      4  -0.667929D+01 -0.411373D+01 -0.649777D+00 -0.188322D+01 -0.537640D+00
      5  -0.221571D+01 -0.215940D+01 -0.106678D+01  0.477364D+00 -0.144619D+01
      6   0.120672D+02  0.882384D+01  0.209476D+01 -0.466713D+01 -0.416490D+01
               121           122           123           124           125 
      1   0.756640D+01 -0.104083D+02 -0.631322D+01  0.388181D+01 -0.426308D+01
      2  -0.484188D+01  0.107860D+02  0.469345D+01 -0.161448D+01  0.227830D+01
      3  -0.272451D+01 -0.377737D+00  0.161977D+01 -0.226733D+01  0.198478D+01
      4   0.113463D+01  0.792675D+01  0.426061D+01  0.334356D-02  0.282891D+01
      5   0.100541D+01  0.323147D+01  0.511267D+01  0.190051D+01  0.145368D+01
      6  -0.235109D+01  0.942516D+01  0.713797D+01 -0.180415D+01  0.612259D+01
               126 
      1  -0.517754D+01
      2   0.105964D+01
      3   0.411791D+01
      4   0.134780D+01
      5   0.357439D+01
      6   0.536770D+01
 Leave Link  716 at Mon Aug 16 21:37:39 2021, MaxMem=  5637144576 cpu:               0.5 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) frequency  1    0.088559:
                 1             2             3 
      1   0.613465D+02  0.345797D+00 -0.300595D+01
      2   0.345797D+00  0.647669D+02 -0.116567D+01
      3  -0.300595D+01 -0.116567D+01  0.516261D+02
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.088559:
                 1             2             3 
      1   0.170748D+01  0.778485D+01 -0.536685D+01
      2  -0.129386D+02 -0.433538D+01 -0.134275D+02
      3   0.102499D+02 -0.187012D+01  0.297184D+01
 Property number 4 -- D-Q polarizability frequency  1    0.088559:
                 1             2             3 
      1  -0.146888D+02 -0.603304D+01 -0.177579D+02
      2   0.984075D+01  0.131318D+02 -0.155277D+01
      3   0.484805D+01 -0.709880D+01  0.193106D+02
      4   0.143960D+02 -0.288386D+01 -0.926113D+01
      5   0.138708D+01 -0.103514D+02 -0.289010D+02
      6  -0.444747D+01  0.137463D+02  0.102550D+02
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    42 ND12= 1 LenFil=    1515:
 Frequencies=    0.088559
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.270583D+00 -0.346358D+01 -0.102455D+01 -0.414497D+01  0.114237D+01
      2  -0.346358D+01 -0.893599D-01  0.154702D+01  0.114237D+01  0.148037D+01
      3  -0.102455D+01  0.154702D+01  0.102030D+01  0.136250D+01 -0.309171D+01
                 6             7             8             9            10 
      1   0.136250D+01 -0.147758D+01  0.141801D+01  0.256522D+01 -0.126906D+00
      2  -0.309171D+01  0.141801D+01 -0.259659D+01  0.219850D+01  0.359418D+01
      3   0.181673D+01  0.256522D+01  0.219850D+01  0.108737D+01  0.181588D+00
                11            12            13            14            15 
      1   0.359418D+01  0.181588D+00  0.288979D+01 -0.725147D+00 -0.670486D+00
      2   0.260863D+00 -0.980331D+00 -0.725147D+00 -0.201079D+01  0.129882D+01
      3  -0.980331D+00 -0.140171D+01 -0.670486D+00  0.129882D+01 -0.109557D+01
                16            17            18            19            20 
      1   0.905576D+00 -0.273648D-01 -0.115016D+01  0.126748D+01 -0.222767D+01
      2  -0.273648D-01  0.114283D+01 -0.180220D+01 -0.222767D+01  0.293430D+00
      3  -0.115016D+01 -0.180220D+01 -0.551001D+01  0.280460D+00  0.697499D+00
                21            22            23            24            25 
      1   0.280460D+00 -0.795651D+00 -0.180750D+00  0.818360D+00 -0.848793D-01
      2   0.697499D+00 -0.180750D+00  0.630171D+01 -0.611436D+00  0.103267D+01
      3   0.486849D+00  0.818360D+00 -0.611436D+00  0.385298D+00  0.209602D+00
                26            27            28            29            30 
      1   0.103267D+01  0.209602D+00  0.711054D+01  0.109361D+01 -0.161486D+01
      2  -0.122504D+01  0.274746D+00  0.109361D+01  0.181738D+01 -0.351161D+00
      3   0.274746D+00  0.338304D+00 -0.161486D+01 -0.351161D+00  0.133431D+01
                31            32            33            34            35 
      1  -0.199892D+01  0.324764D+01  0.282942D+00 -0.154874D+01 -0.440241D+00
      2   0.324764D+01 -0.229500D+01 -0.499883D+00 -0.440241D+00  0.803234D-01
      3   0.282942D+00 -0.499883D+00  0.921553D-01  0.206907D+01  0.875923D+00
                36            37            38            39            40 
      1   0.206907D+01 -0.324670D+01  0.284758D+00 -0.146897D+01  0.180441D+01
      2   0.875923D+00  0.284758D+00 -0.184206D+01 -0.960643D+00 -0.155728D+01
      3  -0.238176D+01 -0.146897D+01 -0.960643D+00 -0.190044D+01 -0.862214D+00
                41            42            43            44            45 
      1  -0.155728D+01 -0.862214D+00 -0.134872D+01 -0.151369D+01 -0.285345D+01
      2   0.179527D+01  0.397707D+00 -0.151369D+01  0.171653D+00 -0.705109D+00
      3   0.397707D+00  0.134380D+01 -0.285345D+01 -0.705109D+00 -0.354238D+01
                46            47            48            49            50 
      1   0.103115D+01 -0.886511D+00  0.435193D+00 -0.571967D+00  0.257197D+01
      2  -0.886511D+00  0.293230D+01  0.477419D+00  0.257197D+01  0.230856D+01
      3   0.435193D+00  0.477419D+00  0.247203D+01  0.558883D+00 -0.241505D+01
                51            52            53            54            55 
      1   0.558883D+00  0.322324D+00  0.676848D+00  0.231600D+01  0.252514D+00
      2  -0.241505D+01  0.676848D+00 -0.276441D+01  0.104845D+00 -0.271119D+01
      3   0.217307D+00  0.231600D+01  0.104845D+00  0.126150D+01  0.333283D+00
                56            57            58            59            60 
      1  -0.271119D+01  0.333283D+00 -0.351388D+01  0.103184D+01 -0.132810D+00
      2   0.126183D+01 -0.540314D+00  0.103184D+01 -0.136102D+02  0.930485D+00
      3  -0.540314D+00 -0.213393D-01 -0.132810D+00  0.930485D+00 -0.248345D+01
                61            62            63            64            65 
      1   0.586136D+00 -0.428535D+00  0.311995D+00  0.607891D+00 -0.176845D+00
      2  -0.428535D+00  0.650647D+00 -0.304308D+01 -0.176845D+00  0.327686D+00
      3   0.311995D+00 -0.304308D+01  0.863341D+00  0.137658D+01  0.391586D+00
                66            67            68            69            70 
      1   0.137658D+01 -0.295328D+00  0.307039D+00  0.335672D+00  0.171878D+01
      2   0.391586D+00  0.307039D+00  0.143686D+01  0.126462D+01  0.143496D+00
      3   0.980566D+00  0.335672D+00  0.126462D+01  0.969615D+00  0.833446D+00
                71            72            73            74            75 
      1   0.143496D+00  0.833446D+00  0.176322D+00 -0.516262D+00  0.843897D+00
      2   0.173286D+01  0.155862D+01 -0.516262D+00 -0.355117D+00 -0.411041D-01
      3   0.155862D+01  0.847103D+01  0.843897D+00 -0.411041D-01  0.528584D-01
                76            77            78            79            80 
      1  -0.132035D+01 -0.115063D+01  0.398659D+00  0.110558D+01  0.395287D+00
      2  -0.115063D+01 -0.527209D+01  0.268741D+01  0.395287D+00  0.245483D+01
      3   0.398659D+00  0.268741D+01 -0.303266D+01 -0.673053D+00 -0.242954D+01
                81            82            83            84            85 
      1  -0.673053D+00 -0.588172D+01  0.186262D+01  0.195316D+01  0.334590D+01
      2  -0.242954D+01  0.186262D+01 -0.151902D+01 -0.754008D+00 -0.182945D+01
      3   0.329785D+01  0.195316D+01 -0.754008D+00 -0.195430D+01 -0.105774D+01
                86            87            88            89            90 
      1  -0.182945D+01 -0.105774D+01  0.192706D+01 -0.561478D+00 -0.195544D+01
      2   0.202803D+01  0.133672D+01 -0.561478D+00  0.106838D+01  0.651586D+00
      3   0.133672D+01  0.126421D+01 -0.195544D+01  0.651586D+00  0.163531D+01
                91            92            93            94            95 
      1  -0.436750D+00  0.181491D+01  0.202857D+00  0.420492D+01 -0.592583D+00
      2   0.181491D+01 -0.484568D+00 -0.176406D+00 -0.592583D+00  0.481398D+01
      3   0.202857D+00 -0.176406D+00  0.302714D+00 -0.860224D+00 -0.513948D+00
                96            97            98            99           100 
      1  -0.860224D+00 -0.583471D-01 -0.246392D+00  0.630986D+00 -0.122658D+01
      2  -0.513948D+00 -0.246392D+00 -0.442087D+00  0.537953D+00  0.581370D+00
      3   0.109806D+01  0.630986D+00  0.537953D+00 -0.809361D+00 -0.143661D+01
               101           102           103           104           105 
      1   0.581370D+00 -0.143661D+01  0.171059D+00 -0.618567D+00  0.116589D+00
      2  -0.135048D+01  0.517591D+00 -0.618567D+00  0.170452D+00 -0.533134D+00
      3   0.517591D+00 -0.201598D+01  0.116589D+00 -0.533134D+00  0.139951D+00
               106           107           108           109           110 
      1  -0.259927D+01  0.232798D+00 -0.180688D+01 -0.795258D+00  0.151446D+01
      2   0.232798D+00 -0.205620D+01  0.104208D+01  0.151446D+01 -0.267345D+01
      3  -0.180688D+01  0.104208D+01 -0.432774D+01  0.305399D+00 -0.601574D+00
               111           112           113           114           115 
      1   0.305399D+00  0.220521D+01 -0.232084D+01 -0.731615D+00  0.113014D+01
      2  -0.601574D+00 -0.232084D+01  0.638073D+01  0.164884D+01 -0.104937D+01
      3  -0.689200D+00 -0.731615D+00  0.164884D+01  0.152614D+01 -0.783842D+00
               116           117           118           119           120 
      1  -0.104937D+01 -0.783842D+00  0.153862D+01 -0.763837D+00 -0.367425D+00
      2   0.332036D+01  0.175130D+01 -0.763837D+00  0.142056D+01  0.774427D+00
      3   0.175130D+01  0.157724D+01 -0.367425D+00  0.774427D+00  0.133336D+01
               121           122           123           124           125 
      1  -0.198022D+01  0.674379D+00  0.441484D+00 -0.578051D+00  0.367963D+00
      2   0.674379D+00 -0.352784D+01 -0.189944D+01  0.367963D+00 -0.153756D+01
      3   0.441484D+00 -0.189944D+01 -0.224158D+01  0.286513D+00 -0.101562D+01
               126 
      1   0.286513D+00
      2  -0.101562D+01
      3  -0.196067D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.536187D+01 -0.101357D+01  0.189063D+01 -0.804595D-01 -0.614542D+00
      2   0.716373D+01  0.295045D+01  0.143453D+01  0.526019D+01  0.482712D+01
      3  -0.694727D+01  0.303566D+00  0.303328D+01  0.680563D+01  0.552467D+01
                 6             7             8             9            10 
      1  -0.451410D+01  0.149649D+01 -0.294896D+01  0.355782D+01  0.442884D+01
      2  -0.428358D+01 -0.215820D+01 -0.396493D+01 -0.232974D+01 -0.376196D+01
      3  -0.549772D+01  0.134031D+01 -0.451334D+01  0.267089D+01  0.144746D+01
                11            12            13            14            15 
      1   0.763300D+00  0.584636D-01  0.589728D+00 -0.690896D+00  0.100347D+01
      2  -0.335924D+01  0.254588D+01 -0.582051D+01 -0.211506D+01 -0.782488D+00
      3  -0.431732D+01 -0.121493D+01  0.159022D+01  0.151033D+01  0.122475D+01
                16            17            18            19            20 
      1   0.671423D+00  0.584796D+01 -0.707317D+00 -0.117303D+01  0.275659D+01
      2  -0.249999D+01 -0.112965D+01 -0.485443D+00 -0.908125D+01  0.162847D+01
      3   0.213220D+01  0.172122D+01 -0.666835D+00  0.467245D+01 -0.398221D+01
                21            22            23            24            25 
      1   0.610307D+00  0.334388D+01  0.159556D+01  0.788912D+01 -0.150973D+01
      2  -0.242464D+01 -0.150481D+01  0.117310D+01  0.164138D+01 -0.158390D+02
      3  -0.216494D+00 -0.569895D+01 -0.867391D+01 -0.254447D+01  0.374547D-01
                26            27            28            29            30 
      1   0.825896D+01 -0.172806D+01  0.124731D+01 -0.344345D+01 -0.234199D+01
      2   0.290162D+01  0.704586D+01  0.141627D+01 -0.161314D+01  0.715298D+01
      3  -0.286394D+01  0.397097D-01  0.263848D+01 -0.120539D+02  0.348859D+00
                31            32            33            34            35 
      1  -0.286243D+01  0.343153D+01 -0.345042D+01  0.341061D+00  0.275859D+01
      2  -0.180190D+01  0.102386D+01 -0.413259D+00  0.499727D+01 -0.481124D+00
      3  -0.774630D+01  0.123078D+02  0.113754D+01 -0.568986D+00  0.232976D+01
                36            37            38            39            40 
      1   0.782087D+00 -0.137540D+01  0.309278D+01 -0.181544D+01  0.803041D+00
      2  -0.573935D+01 -0.461103D+00  0.373233D+01  0.996441D+01  0.214262D+01
      3  -0.155540D+01  0.478580D+01 -0.774523D+01 -0.256922D+01 -0.323472D+01
                41            42            43            44            45 
      1  -0.421884D+01 -0.448032D+01 -0.215094D+00  0.439629D+01 -0.472181D+01
      2  -0.182332D+01 -0.190669D+01 -0.880095D+00  0.119097D-01  0.747497D+01
      3   0.448643D+01  0.114604D+01 -0.112268D+01 -0.287135D+00  0.528322D+00
                46            47            48            49            50 
      1  -0.153361D+01 -0.261691D+01 -0.544452D+01 -0.303277D+01  0.825640D+01
      2   0.635695D+00 -0.172179D+01  0.495066D+01  0.830427D+00  0.269896D+00
      3   0.224721D+01 -0.840786D+01  0.246303D+01  0.274339D+01  0.398663D+01
                51            52            53            54            55 
      1  -0.430597D+01 -0.628478D+01  0.499053D+01 -0.169672D+01  0.154391D+00
      2   0.748412D+00 -0.236786D+01  0.120120D+01  0.437230D+00  0.186319D+01
      3   0.155251D+01  0.924819D+00  0.263926D+01  0.518893D+01  0.187063D+01
                56            57            58            59            60 
      1   0.117997D+00  0.135464D+01  0.501309D+00 -0.216034D+01 -0.115208D+02
      2  -0.790599D+00  0.311645D+01  0.305678D+01 -0.341220D+00 -0.369694D+01
      3  -0.205558D+01  0.521703D+00  0.133887D+02  0.150452D+02 -0.438418D+00
                61            62            63            64            65 
      1   0.699774D+00  0.512365D+00  0.467547D+00 -0.900409D+00  0.161167D+00
      2   0.590415D+00 -0.460167D+01 -0.643710D+00 -0.270314D+00 -0.173342D-01
      3   0.366396D+00 -0.238998D-01  0.399306D+01  0.961529D-01 -0.647004D+00
                66            67            68            69            70 
      1  -0.277288D+00 -0.100029D+00  0.161027D+01 -0.351028D+00 -0.252039D+00
      2  -0.547869D+00  0.566322D+00 -0.322191D+00 -0.129549D+00 -0.358830D+01
      3   0.887126D+00  0.119183D+01  0.130563D+00  0.227189D+00  0.825990D+00
                71            72            73            74            75 
      1   0.306839D+01 -0.235238D+01 -0.113178D+00 -0.950221D-01 -0.174682D-01
      2  -0.469029D+00 -0.216008D+01 -0.234582D+01  0.167101D+00 -0.452174D+00
      3  -0.477670D-01  0.602143D+00 -0.126328D+01 -0.422531D+00 -0.415992D+00
                76            77            78            79            80 
      1  -0.759796D+00 -0.526290D+01 -0.813818D+00  0.195452D+00  0.281637D+01
      2   0.155356D+01 -0.332777D+01  0.471988D+01 -0.183900D+01  0.320403D+01
      3   0.149633D+01 -0.925024D+01  0.448592D+01 -0.644296D+00  0.410929D+01
                81            82            83            84            85 
      1  -0.118585D+00  0.214041D+01 -0.190325D+01 -0.182648D+00 -0.145807D+01
      2  -0.446231D+01  0.221380D+01 -0.376029D+00  0.343415D+01 -0.199434D+01
      3  -0.396465D+01  0.404786D+01 -0.530889D+01 -0.191798D+01 -0.214561D+01
                86            87            88            89            90 
      1   0.224370D+01  0.266940D+00 -0.707439D+00  0.238007D+01  0.332898D+00
      2  -0.672825D+00 -0.214984D+01  0.447963D+00 -0.510941D+00 -0.123516D+01
      3   0.462170D+01  0.261340D+01 -0.109590D+01  0.254932D+01  0.129467D+01
                91            92            93            94            95 
      1  -0.162710D+01  0.256920D+01 -0.123944D+01  0.269942D+01 -0.435805D+01
      2  -0.174834D+01  0.152935D+01 -0.857665D+00  0.162666D+01 -0.280372D+01
      3  -0.353163D+01  0.683079D+01  0.439668D+00  0.990906D+01 -0.171423D+02
                96            97            98            99           100 
      1  -0.475080D+00 -0.957883D+00  0.141811D+01  0.583206D+00  0.334303D+01
      2   0.270788D+01 -0.165194D+01  0.156061D+01 -0.110903D+00 -0.125348D+01
      3   0.302046D+00 -0.269701D-01 -0.436947D+00  0.252852D+00 -0.289033D+01
               101           102           103           104           105 
      1   0.216909D+00  0.512276D+01  0.727920D+00  0.176231D+01 -0.269502D+00
      2   0.434836D-01  0.729284D-01 -0.588474D+00 -0.930104D+00 -0.397768D+00
      3  -0.360992D+00 -0.300133D+01  0.294329D+00 -0.164598D+01  0.148862D+00
               106           107           108           109           110 
      1   0.478369D+01  0.150903D+00  0.883487D+01 -0.491190D+00  0.174835D+01
      2  -0.258376D+01 -0.538929D+00  0.228639D+00  0.379695D+00  0.724548D-01
      3  -0.626804D+01 -0.383153D+00 -0.398887D+01 -0.215275D+01  0.200112D+01
               111           112           113           114           115 
      1   0.215014D+01  0.264929D+01 -0.403999D+01 -0.476741D+01  0.213528D+01
      2   0.396625D+00 -0.294606D+00  0.775498D-03 -0.555150D+00 -0.960384D+00
      3   0.553425D+00  0.648793D+01 -0.392234D+01 -0.196161D+01  0.329883D+01
               116           117           118           119           120 
      1  -0.324404D+01 -0.380508D+01  0.126181D+01 -0.235408D+01  0.131857D+00
      2   0.387198D-01 -0.414244D+00  0.374630D+01 -0.282840D+01 -0.297313D+01
      3  -0.182989D+01 -0.189633D+01 -0.519339D+01  0.378271D+01  0.167175D+01
               121           122           123           124           125 
      1  -0.151746D+01  0.302868D+01 -0.242334D-01 -0.223606D+00  0.197774D+01
      2  -0.303193D+01  0.504147D+01  0.449772D+01 -0.233979D+01  0.260542D+01
      3   0.559081D+01 -0.680577D+01 -0.389941D+01  0.800875D+00 -0.296278D+01
               126 
      1  -0.113867D-01
      2   0.389761D+01
      3  -0.249849D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.088559:
                 1             2             3             4             5 
      1  -0.715673D+01  0.109932D+02  0.667489D+01  0.132023D+02  0.608676D+00
      2   0.249600D+01 -0.806299D+01 -0.231362D+01 -0.940278D+01 -0.203396D+00
      3   0.466073D+01 -0.293022D+01 -0.436127D+01 -0.379956D+01 -0.405280D+00
      4   0.128521D+02 -0.236109D+01 -0.625325D+01 -0.422664D+01 -0.210771D+01
      5   0.557335D+01 -0.898798D+01 -0.691287D+01 -0.114413D+02  0.108305D+02
      6  -0.359741D+01 -0.435675D-01  0.953238D+00  0.307735D+01  0.723215D+01
                 6             7             8             9            10 
      1  -0.970029D+01  0.238035D+01 -0.826353D+01 -0.496664D+01 -0.285291D+01
      2   0.713067D+01 -0.296500D+01  0.148677D+01  0.294055D+01  0.644091D+01
      3   0.256962D+01  0.584643D+00  0.677676D+01  0.202609D+01 -0.358800D+01
      4   0.899222D+01 -0.943913D+01  0.532816D+01 -0.500374D+01 -0.218172D+01
      5  -0.375352D+01 -0.158549D+02 -0.566392D+01 -0.161157D+01 -0.322728D+00
      6  -0.889888D+01 -0.172343D+01 -0.114788D+02  0.322193D+01  0.275285D+00
                11            12            13            14            15 
      1  -0.122228D+01  0.348597D+01 -0.458944D+01  0.389479D+01  0.141994D+01
      2   0.187475D+01  0.244388D+01  0.294375D+01 -0.649779D+01  0.248946D+01
      3  -0.652474D+00 -0.592985D+01  0.164568D+01  0.260299D+01 -0.390940D+01
      4   0.459185D+01  0.459240D+00 -0.461490D+01 -0.278895D+01 -0.306245D+00
      5   0.255831D+01  0.234338D+01  0.522780D+01 -0.130218D+01 -0.137181D+01
      6  -0.184585D+01 -0.234181D+01 -0.495119D+00  0.111653D+01 -0.281584D+01
                16            17            18            19            20 
      1  -0.952255D+00 -0.213325D-01  0.123617D+02 -0.713217D+01 -0.655779D+01
      2   0.244054D+01  0.102405D+02  0.930773D+01  0.216968D+01  0.575217D+01
      3  -0.148829D+01 -0.102192D+02 -0.216694D+02  0.496249D+01  0.805614D+00
      4   0.405172D+01 -0.185635D+01 -0.732342D+00 -0.483440D+01 -0.241130D+01
      5   0.196354D+00  0.116392D+01 -0.115616D+01  0.445354D+01  0.229131D+01
      6  -0.714854D+00 -0.239955D+01 -0.906602D+01  0.630227D+00 -0.120113D+00
                21            22            23            24            25 
      1  -0.100175D+01 -0.219281D+01  0.140336D+02 -0.181016D+01  0.641263D+01
      2  -0.679124D+01  0.495678D+01 -0.257738D+02 -0.266079D+01 -0.628803D+01
      3   0.779299D+01 -0.276397D+01  0.117403D+02  0.447095D+01 -0.124597D+00
      4   0.177175D+01 -0.154677D+02  0.183759D+02 -0.221697D+01  0.504261D+01
      5  -0.381230D+01  0.271900D+01 -0.524521D+01  0.674900D+00  0.167264D+01
      6  -0.144520D+01 -0.186256D+01  0.341399D+01 -0.119629D+02  0.179436D+01
                26            27            28            29            30 
      1   0.239341D+01 -0.267367D+01  0.423028D+02  0.498405D+01 -0.459209D+01
      2  -0.374396D+00 -0.359181D+01 -0.270415D+02 -0.998885D+00  0.724452D+01
      3  -0.201902D+01  0.626548D+01 -0.152613D+02 -0.398516D+01 -0.265243D+01
      4   0.198141D+01  0.191916D+01  0.115600D+02  0.114118D+02 -0.194388D+01
      5   0.101389D+01  0.719602D+01 -0.888236D+01 -0.113822D+01  0.141105D+02
      6   0.239821D+01  0.298321D+01 -0.330511D+00 -0.988914D+00  0.320218D+01
                31            32            33            34            35 
      1  -0.464686D+01  0.787751D+01  0.157603D+01 -0.486501D+01 -0.108624D+01
      2   0.550344D+01 -0.323036D+01 -0.337195D+00  0.591113D+01  0.538068D+00
      3  -0.856578D+00 -0.464715D+01 -0.123884D+01 -0.104613D+01  0.548176D+00
      4   0.131741D+02 -0.153329D+01 -0.167060D+01 -0.373657D+01 -0.168742D+01
      5   0.138269D+01 -0.204521D+01  0.477446D+00  0.136864D+02  0.371774D+01
      6  -0.171944D+01  0.930365D+00  0.703416D+01  0.461911D+00  0.469945D+01
                36            37            38            39            40 
      1   0.403393D+01  0.200311D+02 -0.395471D+01  0.128505D+01 -0.649961D+01
      2  -0.108340D+02 -0.118653D+02  0.478865D+01 -0.372317D+01  0.615398D+01
      3   0.680011D+01 -0.816579D+01 -0.833936D+00  0.243812D+01  0.345623D+00
      4   0.272838D+01  0.442201D+01  0.962831D+01  0.331252D+01  0.864548D+01
      5  -0.118390D+02  0.104387D+02  0.205133D+01  0.125812D+02  0.231509D+01
      6  -0.162100D+01  0.458377D-01  0.664601D+01  0.521731D+01  0.371582D+01
                41            42            43            44            45 
      1   0.655134D+01  0.404238D+01  0.503645D+01  0.522477D+01  0.144377D+01
      2  -0.142643D+01 -0.312796D+01 -0.438921D+01 -0.170345D+01 -0.137567D+02
      3  -0.512490D+01 -0.914419D+00 -0.647237D+00 -0.352131D+01  0.123130D+02
      4  -0.958095D+00  0.868505D+00  0.722141D+01  0.227872D+01  0.366309D+01
      5   0.188964D+01 -0.185075D+01  0.180279D+02  0.421358D+01  0.164864D+02
      6  -0.407134D+01  0.249666D+01  0.442324D+01  0.707595D+01  0.271019D+01
                46            47            48            49            50 
      1   0.116892D+02 -0.740954D+01 -0.220226D+01 -0.485121D+01 -0.981316D+01
      2  -0.813497D+01  0.127050D+02  0.436870D+01  0.106476D+02  0.130214D+02
      3  -0.355425D+01 -0.529542D+01 -0.216643D+01 -0.579636D+01 -0.320826D+01
      4   0.167725D+01 -0.226681D+01  0.215885D+01  0.282193D+01  0.107520D+02
      5  -0.216035D+01 -0.545257D+00  0.936476D+00 -0.151481D+01  0.209742D+01
      6   0.186267D+01  0.319331D+01  0.954631D+01  0.285220D+01 -0.136179D+02
                51            52            53            54            55 
      1   0.643292D+01 -0.355507D+01  0.785440D+01 -0.204922D+01  0.478824D+01
      2  -0.107195D+02  0.678464D+01 -0.150995D+02 -0.246291D+00  0.177194D+01
      3   0.428659D+01 -0.322957D+01  0.724511D+01  0.229551D+01 -0.656017D+01
      4   0.214300D+01  0.135457D+01  0.359865D+01  0.894110D+01 -0.957087D+01
      5   0.138010D+01  0.227675D+01  0.192187D+01 -0.347015D+01  0.244669D+01
      6   0.491397D+01  0.924692D+01  0.132439D+01  0.188994D+01 -0.116923D+01
                56            57            58            59            60 
      1  -0.462124D+01 -0.288678D-01 -0.574688D+01 -0.289260D+02  0.346313D+01
      2  -0.305406D+00  0.111313D+01 -0.127511D+01  0.514233D+02 -0.118885D+01
      3   0.492664D+01 -0.108426D+01  0.702199D+01 -0.224973D+02 -0.227428D+01
      4   0.157148D+02 -0.186415D+01  0.196898D+02 -0.332784D+02  0.405619D+01
      5  -0.282258D+01  0.545287D+01 -0.162147D+01  0.778227D+01 -0.636743D+01
      6   0.170144D+01 -0.208317D+01  0.278205D+01 -0.523504D+01  0.169408D+02
                61            62            63            64            65 
      1   0.491641D+00  0.974321D+00 -0.647257D+01  0.100086D+00 -0.122101D+01
      2   0.132786D+01 -0.655015D+00  0.384543D+01 -0.375061D+01  0.416362D+00
      3  -0.181950D+01 -0.319306D+00  0.262714D+01  0.365052D+01  0.804652D+00
      4  -0.172894D+01  0.209414D+01 -0.795435D+01  0.696911D+00  0.213774D+01
      5   0.578954D+01 -0.848058D+01  0.286473D+01  0.129727D+01  0.116215D+01
      6  -0.255174D+01  0.146060D+02 -0.304999D+01  0.206353D+01  0.151825D+01
                66            67            68            69            70 
      1  -0.236978D+01 -0.225354D+00 -0.499325D+01 -0.285103D+01 -0.152003D+01
      2  -0.172444D+01 -0.448794D+00  0.109253D+01  0.764381D+00 -0.887786D+00
      3   0.409422D+01  0.674147D+00  0.390072D+01  0.208665D+01  0.240782D+01
      4   0.183906D+01  0.244980D+01  0.201043D+00  0.371183D+00  0.729723D+00
      5   0.671166D+01  0.468574D+00  0.608540D+00  0.375001D+00  0.569551D+01
      6   0.169691D+01  0.124632D+01  0.374383D+01  0.830003D+01  0.959285D+00
                71            72            73            74            75 
      1  -0.466114D+01 -0.197485D+02  0.999912D+00  0.167675D+01 -0.357072D+01
      2  -0.864984D+00 -0.167130D+02  0.128977D+00 -0.244461D-01  0.150802D+01
      3   0.552612D+01  0.364615D+02 -0.112889D+01 -0.165230D+01  0.206270D+01
      4   0.599713D+00  0.113261D+01  0.162358D+01  0.405006D+01 -0.148304D+01
      5   0.626998D-01  0.156667D+01 -0.305800D+01 -0.126830D+01  0.279220D+01
      6   0.782066D+01  0.132981D+02 -0.229986D+01 -0.439260D+00 -0.482851D-02
                76            77            78            79            80 
      1   0.287343D+01 -0.668201D+01  0.584050D+01 -0.261164D+01  0.488110D+01
      2  -0.956850D+00  0.919641D+01 -0.267025D+01  0.217281D+01 -0.108796D+01
      3  -0.191658D+01 -0.251440D+01 -0.317025D+01  0.438837D+00 -0.379314D+01
      4   0.727658D+01  0.153785D+02 -0.784390D+01 -0.237803D+01 -0.638027D+01
      5  -0.375429D+01 -0.918858D+01  0.101248D+02  0.556025D+01  0.779083D+01
      6  -0.262487D+01 -0.147959D+02  0.123822D+02  0.165568D+01  0.111453D+02
                81            82            83            84            85 
      1  -0.619712D+01  0.298737D+02 -0.813363D+01 -0.811579D+01 -0.130018D+02
      2  -0.175431D+01 -0.177248D+02  0.419155D+01  0.698824D+01  0.731580D+01
      3   0.795143D+01 -0.121488D+02  0.394208D+01  0.112755D+01  0.568603D+01
      4   0.632932D+01 -0.103315D+02  0.895760D+01  0.409247D+01  0.109849D+02
      5  -0.100928D+02 -0.159861D+02  0.559899D+01  0.125585D+02  0.859092D+01
      6  -0.116030D+02  0.277238D+01 -0.263595D+01 -0.116169D+01 -0.335115D+01
                86            87            88            89            90 
      1   0.533487D+01  0.346275D+01 -0.663850D+01  0.154460D+01  0.475846D+01
      2  -0.132929D+01 -0.365162D+01  0.669202D+01 -0.190400D+01 -0.669501D+01
      3  -0.400559D+01  0.188867D+00 -0.535143D-01  0.359396D+00  0.193654D+01
      4  -0.106929D+02 -0.588853D+01  0.342063D+01 -0.417553D+01 -0.387535D+01
      5  -0.699954D+01 -0.729738D+01  0.129452D+02 -0.445322D+01 -0.997299D+01
      6   0.303921D+01  0.395384D+01 -0.179896D+01  0.408892D+01  0.244166D+01
                91            92            93            94            95 
      1  -0.639870D+01  0.280913D+01  0.619564D+00  0.134607D+02 -0.450776D+01
      2   0.706406D+01 -0.134146D-01 -0.132236D+01 -0.870583D+01  0.695344D+01
      3  -0.665360D+00 -0.279572D+01  0.702796D+00 -0.475484D+01 -0.244567D+01
      4   0.478726D+01  0.187592D+01 -0.167179D+00  0.565357D+01  0.138686D+02
      5   0.165117D+01 -0.100010D+01 -0.103824D+01 -0.365213D+01 -0.104096D+01
      6  -0.539057D+00 -0.265555D+00  0.229428D+01 -0.111443D+01 -0.342840D+01
                96            97            98            99           100 
      1  -0.122677D+01  0.123593D+01  0.740316D+00 -0.928095D+00  0.125771D+01
      2   0.126484D+01 -0.748400D+00 -0.440744D+00 -0.279337D+00 -0.678453D+00
      3  -0.380743D-01 -0.487526D+00 -0.299572D+00  0.120743D+01 -0.579253D+00
      4  -0.295739D+01 -0.751507D+00 -0.178759D+01  0.255547D+01 -0.440990D+01
      5   0.490082D+01  0.229819D+01  0.207076D+01 -0.145090D+01  0.403775D+01
      6   0.134767D+01  0.149540D+01  0.246904D+01 -0.193177D+01 -0.444759D+01
               101           102           103           104           105 
      1   0.233924D+01  0.254736D+00  0.568849D+00 -0.439711D+00  0.937863D+00
      2  -0.411416D+01 -0.148442D+01 -0.173622D+01  0.143962D+01 -0.178825D+01
      3   0.177492D+01  0.122968D+01  0.116737D+01 -0.999904D+00  0.850386D+00
      4   0.536199D+01 -0.475694D+01  0.330723D+01 -0.129190D+01  0.146322D+01
      5  -0.120558D+01  0.475909D+01 -0.388787D+00  0.160334D+01 -0.902212D+00
      6   0.270899D+01 -0.801278D+01  0.158782D+01 -0.123585D+01  0.227393D+01
               106           107           108           109           110 
      1   0.934187D+00  0.379730D+01 -0.338139D+01 -0.992571D+00  0.516627D+01
      2  -0.275419D+01 -0.538391D+01 -0.383520D+01  0.481833D+01 -0.121936D+02
      3   0.182000D+01  0.158661D+01  0.721659D+01 -0.382576D+01  0.702729D+01
      4  -0.815900D+01  0.385674D+01 -0.693742D+01 -0.529519D+01  0.995923D+01
      5   0.472758D+01 -0.224974D+01  0.705880D+01 -0.142811D+01  0.166287D+01
      6  -0.673157D+01  0.482753D+01 -0.146305D+02  0.263896D+01 -0.476165D+01
               111           112           113           114           115 
      1   0.104700D+01  0.385176D+01 -0.157085D+02 -0.449693D+01  0.177348D+01
      2  -0.228818D+01 -0.969279D+01  0.309042D+02  0.824739D+01 -0.367794D+01
      3   0.124118D+01  0.584103D+01 -0.151958D+02 -0.375046D+01  0.190446D+01
      4   0.220653D+01  0.105178D+02 -0.135058D+02 -0.427725D+01  0.436917D+01
      5   0.258976D+01  0.663312D+00 -0.222155D+01 -0.150269D+01  0.242453D+01
      6  -0.369584D+01 -0.474885D+01  0.123175D+02  0.852251D+01 -0.436631D+01
               116           117           118           119           120 
      1  -0.833777D+01 -0.542042D+01 -0.471426D+01  0.561261D+01  0.450612D+01
      2   0.137474D+02  0.613501D+01  0.340804D+01 -0.424612D+01 -0.201509D+01
      3  -0.540966D+01 -0.714589D+00  0.130622D+01 -0.136650D+01 -0.249103D+01
      4  -0.667929D+01 -0.411373D+01 -0.649777D+00 -0.188322D+01 -0.537640D+00
      5  -0.221571D+01 -0.215940D+01 -0.106678D+01  0.477364D+00 -0.144619D+01
      6   0.120672D+02  0.882384D+01  0.209476D+01 -0.466713D+01 -0.416490D+01
               121           122           123           124           125 
      1   0.756640D+01 -0.104083D+02 -0.631322D+01  0.388181D+01 -0.426308D+01
      2  -0.484188D+01  0.107860D+02  0.469345D+01 -0.161448D+01  0.227830D+01
      3  -0.272451D+01 -0.377737D+00  0.161977D+01 -0.226733D+01  0.198478D+01
      4   0.113463D+01  0.792675D+01  0.426061D+01  0.334356D-02  0.282891D+01
      5   0.100541D+01  0.323147D+01  0.511267D+01  0.190051D+01  0.145368D+01
      6  -0.235109D+01  0.942516D+01  0.713797D+01 -0.180415D+01  0.612259D+01
               126 
      1  -0.517754D+01
      2   0.105964D+01
      3   0.411791D+01
      4   0.134780D+01
      5   0.357439D+01
      6   0.536770D+01

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163291D+01      0.415044D+01      0.138444D+02
   x         -0.837095D+00     -0.212768D+01     -0.709719D+01
   y          0.130233D+01      0.331019D+01      0.110416D+02
   z          0.519226D+00      0.131974D+01      0.440218D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.543539D+02      0.805441D+01      0.896174D+01
   aniso      0.123091D+02      0.182403D+01      0.202950D+01
   xx         0.558131D+02      0.827066D+01      0.920234D+01
   yx        -0.712495D-01     -0.105581D-01     -0.117474D-01
   yy         0.598545D+02      0.886952D+01      0.986867D+01
   zx        -0.302624D+01     -0.448443D+00     -0.498960D+00
   zy        -0.963500D+00     -0.142776D+00     -0.158860D+00
   zz         0.473939D+02      0.702306D+01      0.781420D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.592465D+02      0.877942D+01      0.976843D+01
   aniso      0.130758D+02      0.193763D+01      0.215591D+01
   xx         0.613465D+02      0.909062D+01      0.101147D+02
   yx         0.345797D+00      0.512418D-01      0.570142D-01
   yy         0.647669D+02      0.959746D+01      0.106786D+02
   zx        -0.300595D+01     -0.445436D+00     -0.495615D+00
   zy        -0.116567D+01     -0.172735D+00     -0.192193D+00
   zz         0.516261D+02      0.765019D+01      0.851199D+01

 ----------------------------------------------------------------------

 Dipole orientation:
     6         -1.93312426         -1.92897440          1.28743446
     6          0.62221096         -0.59053280          1.25684763
     6          1.38917040          0.02062008         -1.48377381
     8          2.71059711          2.15380868         -1.71961686
     8         -3.86836082         -0.31348698          0.35805374
     7          0.71963309          1.73409401          2.75937971
     8          0.85813757         -1.31393047         -3.24607072
     1          2.06699205         -1.88927780          1.96737703
     1         -1.82015914         -3.67583559          0.19630936
     1         -2.44094419         -2.39242361          3.23112090
     1          2.71121714          2.91437272         -0.02064803
     1         -0.98202627          2.61842280          2.67678729
     1          1.12060494          1.38166812          4.59413738
     1         -3.76565706         -0.31338124         -1.46272959

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.163291D+01      0.415044D+01      0.138444D+02
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.163291D+01      0.415044D+01      0.138444D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.543539D+02      0.805441D+01      0.896174D+01
   aniso      0.123091D+02      0.182403D+01      0.202950D+01
   xx         0.511636D+02      0.758166D+01      0.843573D+01
   yx         0.548842D+01      0.813300D+00      0.904918D+00
   yy         0.538093D+02      0.797371D+01      0.887195D+01
   zx        -0.870754D+00     -0.129032D+00     -0.143568D+00
   zy         0.272254D+01      0.403438D+00      0.448886D+00
   zz         0.580887D+02      0.860786D+01      0.957753D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  514.5nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.592465D+02      0.877942D+01      0.976843D+01
   aniso      0.130758D+02      0.193763D+01      0.215591D+01
   xx         0.564547D+02      0.836573D+01      0.930813D+01
   yx         0.612033D+01      0.906940D+00      0.100911D+01
   yy         0.586394D+02      0.868946D+01      0.966833D+01
   zx        -0.113930D+01     -0.168826D+00     -0.187845D+00
   zy         0.289452D+01      0.428924D+00      0.477242D+00
   zz         0.626453D+02      0.928308D+01      0.103288D+02

 ----------------------------------------------------------------------

 Test job not archived.
 1\1\GINC-CPN-F07-13\Freq\RLC-PBEPBE\Gen\C3H7N1O3\PIERPA\16-Aug-2021\0\
 \#P LC-PBEPBE/Gen Integral=UltraFineGrid SCF=(NoSymm,MaxCyc=200,Tight)
  Polar=ROA Guess=Read Geom=Check CPHF=RdFreq IOp(1/33=1,3/107=03600000
 00,3/108=0360000000,3/119=1000000000,3/120=1000000000,3/130=-1,3/131=-
 1)\\ROA calculations.\\0,1\C,-1.484901,-0.302102,0.506335\C,-0.17429,0
 .470913,0.629509\C,0.994437,-0.392531,0.11848\O,1.968436,0.308886,-0.4
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 Boundary, n.  In political geography, an imaginary
 line between two nations, separating the imaginary
 rights of one from the imaginary rights of another.
                               -- Ambrose Bierce
 Job cpu time:       0 days  2 hours 39 minutes  7.3 seconds.
 Elapsed time:       0 days  0 hours 19 minutes 54.8 seconds.
 File lengths (MBytes):  RWF=    210 Int=      0 D2E=      0 Chk=      6 Scr=      2
 Normal termination of Gaussian 16 at Mon Aug 16 21:37:40 2021.
